data_2moi_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 2moi _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' THR . . . . . 0.423 ' CG2' ' N ' ' A' ' 4' ' ' THR . 6.6 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.423 ' N ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -108.54 158.89 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.387 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -150.2 141.43 16.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -61.54 155.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.468 ' HG3' ' CA ' ' A' ' 94' ' ' GLY . 18.3 Cg_endo -75.0 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.54 -51.64 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -19.98 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -77.28 -37.22 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -55.32 -17.17 4.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.536 ' HE2' ' NH2' ' A' ' 16' ' ' ARG . 1.4 tt0 -89.44 -69.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 1.6 pp -41.88 -48.18 4.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -50.58 -41.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.361 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -88.73 16.24 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.536 ' NH2' ' HE2' ' A' ' 12' ' ' GLU . 14.2 mmt180 -117.5 -36.09 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 166.17 -29.05 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.04 115.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -92.67 117.9 30.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.547 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 26.6 tp -103.24 137.46 41.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 12.6 mm -105.97 159.11 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' CE1' ' A' ' 62' ' ' HIS . 1.4 m-20 -108.88 73.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.5 HG23 ' CD1' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -79.82 57.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' CZ ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -133.0 -87.81 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.79 -175.73 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . . . -101.86 -46.64 4.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.08 -40.52 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -49.83 -62.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -40.87 -35.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.77 -76.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -72.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -106.9 178.89 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.425 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 10.2 t-80 -136.14 -121.16 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.562 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.605 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.71 168.97 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.694 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.94 81.61 2.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.584 1.834 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.3 OUTLIER 71.78 102.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.534 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -168.86 150.33 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.27 141.35 51.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 13.8 tp -45.15 129.23 7.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . 177.26 71.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.526 ' O ' HG13 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.01 150.67 38.47 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 tp -46.01 -24.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' PRO . 32.9 m -66.65 -31.13 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.531 HG11 ' N ' ' A' ' 45' ' ' LEU . 4.0 p -88.26 -35.65 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' N ' HG11 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -54.49 -53.04 59.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -22.96 66.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -22.56 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 22.1 p -140.98 -75.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 126.94 175.01 13.96 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 1.4 tm? -39.28 121.03 1.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.211 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 18.0 Cg_endo -75.02 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -85.49 -48.42 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -49.7 -33.73 16.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.401 ' CB ' HD13 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -114.61 50.06 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 ppt_? -115.77 11.13 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.8 t-80 -35.15 149.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.556 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.16 -36.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -127.77 137.96 52.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' CD1' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -142.98 168.66 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' N ' HG13 ' A' ' 59' ' ' ILE . 7.1 mt -136.45 165.46 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CD1' HG23 ' A' ' 23' ' ' ILE . 6.0 m-85 -129.91 156.39 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.605 ' CD2' HD12 ' A' ' 34' ' ' ILE . 11.5 p80 -155.31 -164.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.548 0.214 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -22.03 59.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.54 -19.94 60.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.5 20.1 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -65.65 -11.32 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -56.52 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -55.32 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.7 mt -44.51 -33.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -66.48 -54.37 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.24 -8.06 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 mt -97.48 -48.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.234 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 85' ' ' ILE . . . -95.9 -60.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -40.93 162.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 0.43 16.51 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.002 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 85' ' ' ILE . . . -42.88 120.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 49.7 mm-40 -37.64 99.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.489 ' CD1' ' HB1' ' A' ' 80' ' ' ALA . 1.2 mp -111.39 161.3 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 66.3 m-85 -157.35 -176.89 6.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.8 mt -134.84 130.44 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.1 tp -71.06 61.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.607 1.192 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 51.09 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' LEU . 12.7 m-20 -110.8 150.04 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -60.88 102.89 0.44 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER 69.35 -54.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.485 ' N ' ' CG2' ' A' ' 92' ' ' ILE . 18.9 t70 -38.93 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.468 ' CA ' ' HG3' ' A' ' 7' ' ' PRO . . . -65.69 -60.96 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.694 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 66.6 t-105 -48.72 -42.74 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 99' ' ' GLY . 8.0 ttpt -73.22 -31.8 64.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.1 tttt -42.38 -64.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.33 -23.52 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 95.82 51.3 1.82 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.623 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 1.4 mt -111.39 127.19 27.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.97 134.46 17.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.496 HG13 ' CD1' ' A' ' 95' ' ' TRP . 3.1 m -78.34 176.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.61 65.12 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.5 p -107.07 127.3 53.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.27 140.84 31.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 172.01 11.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.905 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.1 Cg_endo -75.02 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 7.9 t-80 87.45 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.24 -34.23 28.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -74.11 -29.06 61.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -65.13 -9.13 20.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -99.15 -66.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 1.5 pp -41.8 -49.2 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -53.04 -37.18 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.81 8.58 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' LEU . 26.2 mmt180 -111.28 -32.59 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 156.18 -23.0 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . -36.26 109.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -84.42 120.23 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 1.1 tt -104.54 137.12 42.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CG2' ' CB ' ' A' ' 40' ' ' ALA . 5.9 mm -113.45 148.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.563 ' HD2' ' NH1' ' A' ' 24' ' ' ARG . 1.3 m-20 -104.93 79.5 1.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.449 ' O ' ' SG ' ' A' ' 63' ' ' CYS . 0.9 OUTLIER -82.27 51.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' NH1' ' HD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -126.36 -89.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.1 -171.95 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -102.49 -45.82 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 59.5 m-20 -47.73 -25.45 1.24 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.47 -51.47 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.88 -31.2 64.61 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.59 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -53.91 -72.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 22.3 mp0 -108.13 179.85 4.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 7.2 t-160 -137.66 -113.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' CG ' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.13 170.33 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.613 1.195 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.703 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.07 85.23 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 70.37 97.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.52 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -158.2 -173.39 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.203 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -163.85 133.72 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 26' ' ' ALA . 8.2 tp -40.26 124.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.486 ' CB ' ' CG2' ' A' ' 21' ' ' ILE . . . -172.26 74.75 0.46 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 140.53 25.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 tp -43.41 -33.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -32.6 15.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -88.47 -44.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -41.27 -53.05 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -36.6 79.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.92 -28.6 63.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.41 -72.27 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.24 -177.65 16.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -40.47 126.77 1.81 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.409 ' O ' HD11 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.95 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -81.86 -47.92 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -51.46 -32.83 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -116.08 50.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -114.5 12.44 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.9 t60 -34.89 146.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.571 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' HIS . 6.3 tt0 -38.73 -30.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' HIS . 1.9 mp0 -133.37 134.31 43.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -133.85 170.51 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.3 mt -136.14 153.3 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' A' ' 59' ' ' ILE . 5.4 m-85 -125.94 149.45 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -159.17 -167.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.442 ' HB ' ' CD2' ' A' ' 87' ' ' LEU . 3.7 m . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.568 0.223 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.9 p -83.6 -11.1 57.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.89 -18.16 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -141.67 27.7 1.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -65.08 -15.14 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -69.11 -56.16 8.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 0.0 109.341 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -74.39 -54.6 7.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 23' ' ' ILE . 74.1 mt -44.78 -28.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -75.62 -46.44 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -87.53 16.72 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.9 mt -112.97 -27.82 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -111.56 -41.94 3.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -37.41 154.02 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -3.39 19.57 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 120.937 -2.526 . . . . 0.0 110.987 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -39.78 144.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.7 116.02 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 86' ' ' PHE . 1.1 mp -110.22 163.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.49 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 99.4 m-85 -151.71 177.01 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.442 ' CD2' ' HB ' ' A' ' 69' ' ' THR . 71.2 mt -130.01 111.99 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' ASP . 16.2 tp -61.27 88.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 1.7 tp10 36.43 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' LEU . 1.5 m-20 -125.0 77.15 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.54 -103.99 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.439 ' C ' ' N ' ' A' ' 94' ' ' GLY . 0.7 OUTLIER -101.92 -25.29 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -42.51 -28.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -73.83 -61.1 3.41 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.715 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 43.4 t-105 -47.23 -42.24 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 94' ' ' GLY . 2.5 tptt -43.65 -67.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.492 ' CB ' HD23 ' A' ' 100' ' ' LEU . . . -58.35 -22.95 55.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.66 24.27 16.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.345 1.028 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.715 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -74.18 133.57 78.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.05 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -80.89 163.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.58 91.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 32' ' ' GLU . 5.3 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.418 ' C ' ' CG2' ' A' ' 5' ' ' ILE . 80.7 p -90.3 -170.47 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' CG2' ' C ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -175.71 149.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -72.65 157.27 89.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 94' ' ' GLY . 18.2 Cg_endo -74.92 -8.32 20.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.575 1.829 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.37 -44.82 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.632 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -28.47 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -71.29 -42.95 68.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' NE2' HD23 ' A' ' 100' ' ' LEU . 57.8 tt0 -55.07 -17.42 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.29 -67.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.508 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 1.3 pp -43.41 -47.87 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -35.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.99 8.41 15.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 12.2 mtp180 -113.78 -40.29 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.23 -29.05 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.508 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -38.89 109.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -80.85 152.34 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.526 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 14.4 tp -136.67 141.26 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mm -109.03 160.08 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -113.44 71.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -79.16 61.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' NH2' ' HA ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.08 -78.15 0.59 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.9 -172.12 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.96 -55.18 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.22 -36.38 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLU . 21.3 mm-40 -54.2 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CD2' HD13 ' A' ' 39' ' ' LEU . 75.7 t80 -42.23 -35.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.6 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -44.78 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' GLU . 2.3 mp0 -107.74 172.56 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.484 ' C ' HG22 ' A' ' 102' ' ' VAL . 1.3 t60 -128.62 -119.51 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.586 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 0.0 OUTLIER 174.34 168.64 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.684 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.02 81.41 2.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 74.51 100.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.503 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -169.33 169.8 8.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -139.13 123.69 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 29' ' ' TYR . 6.6 tt -36.65 131.18 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 178.9 78.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.92 153.6 42.32 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 76' ' ' LEU . 5.0 tp -41.61 -54.44 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LEU . 38.6 m -38.66 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' GLN . 61.0 t -88.57 -50.94 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -43.95 -45.54 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -33.38 72.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -74.16 -35.28 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' VAL . 16.7 t -131.24 -61.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 103.04 178.95 26.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -37.63 115.96 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.478 ' N ' HD21 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 171.07 19.04 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.44 -1.49 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.454 ' NZ ' ' OD1' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -92.4 -31.82 15.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 1.2 mt -111.02 39.34 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -96.41 9.35 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 52.8 t-80 -38.17 146.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.25 -46.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -129.07 126.28 39.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.52 HG13 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -119.97 -174.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.52 ' N ' HG13 ' A' ' 59' ' ' ILE . 68.8 mt -146.64 166.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -134.2 154.18 51.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -163.02 162.1 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.294 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.499 ' HB ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -47.51 -37.29 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 72' ' ' ASN . 2.2 m-80 -51.44 -24.75 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 71' ' ' ASN . 0.3 OUTLIER -141.25 40.51 1.77 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -78.18 -6.52 55.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.81 -51.7 15.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -77.89 -55.51 5.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 42' ' ' LEU . 49.4 mt -44.44 -35.92 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . -71.14 -44.73 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -64.61 -15.08 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.27 -56.01 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.33 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.576 ' CB ' ' CD1' ' A' ' 85' ' ' ILE . . . -104.98 45.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -108.99 165.36 12.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 1.76 15.38 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.051 -0.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 85' ' ' ILE . . . -43.65 118.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -52.55 147.97 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.576 ' CD1' ' CB ' ' A' ' 80' ' ' ALA . 3.3 mt -146.3 160.18 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -137.45 177.17 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.499 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 1.2 mm? -116.45 97.38 5.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 10' ' ' ALA . 4.5 tp -56.71 86.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER 38.54 -158.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.222 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.76 65.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 74.87 -100.4 1.22 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.41 ' C ' ' N ' ' A' ' 94' ' ' GLY . 16.7 tt -109.98 -22.16 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 0.713 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -45.4 -26.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.498 ' O ' ' CG ' ' A' ' 7' ' ' PRO . . . -66.87 -46.86 70.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.623 1.202 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.684 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 57.9 t-105 -57.6 -37.24 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -81.57 -29.71 33.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.4 tmtm? -50.49 -44.03 55.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.46 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -90.21 18.12 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.82 69.0 1.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.577 HD12 ' CZ3' ' A' ' 95' ' ' TRP . 3.2 mt -125.24 129.43 24.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.66 10.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.561 1.822 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.586 ' CG2' ' N ' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -77.02 -172.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.89 74.7 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.485 HG12 ' CG1' ' A' ' 102' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -107.88 126.66 52.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.461 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -106.6 153.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -88.45 176.71 3.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.01 179.62 5.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 9.4 t-80 81.11 -51.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.581 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.58 -37.67 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -61.54 -50.0 74.44 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.11 -20.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -86.97 -69.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 1.4 pp -42.59 -44.19 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -52.57 -42.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -87.4 13.77 9.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -113.02 -32.81 6.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 158.89 -25.03 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -38.93 107.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 99.59 11.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.566 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -84.39 138.24 32.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.491 ' CG2' ' CB ' ' A' ' 40' ' ' ALA . 5.8 mm -110.98 140.5 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' OD1' ' NE2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -100.43 96.94 7.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.495 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -105.19 56.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.504 ' NH2' ' N ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.58 -58.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.96 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.22 -45.03 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -43.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.5 -68.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.504 ' N ' ' NH2' ' A' ' 24' ' ' ARG . 11.7 t80 -41.8 -28.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.81 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 22.5 mtt180 -71.3 -64.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -91.09 -174.29 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 23.6 t-160 -152.41 -117.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.84 168.92 0.38 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.741 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.01 74.13 4.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER 86.48 101.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.23 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -154.85 150.27 27.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.51 9.53 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 22' ' ' ASP . 44.5 tp 66.15 144.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 21' ' ' ILE . . . 173.99 79.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.755 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -38.37 -53.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' LEU . 3.3 m -34.61 -39.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -86.54 -53.35 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.561 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -43.96 -46.03 8.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.12 -34.28 77.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.8 mm100 -75.3 -32.5 61.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.92 -65.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 108.06 -156.92 15.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -38.3 105.25 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.5 43.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -64.91 -59.5 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -39.4 -48.72 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -101.6 50.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.61 10.37 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.235 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 55' ' ' ARG . 21.4 t-80 -40.72 161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.621 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.92 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -118.44 143.29 46.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -132.98 168.53 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 13' ' ' LEU . 3.6 mt -139.34 152.76 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 59' ' ' ILE . 1.8 m-85 -124.32 170.82 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER 179.98 -172.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 18.1 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.522 ' HB ' ' CD1' ' A' ' 87' ' ' LEU . 74.8 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.9 p -83.1 -28.77 29.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -73.2 -17.49 61.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -138.87 34.54 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.39 -2.13 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -91.22 -48.67 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -77.75 -62.05 1.79 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.619 1.2 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 42' ' ' LEU . 63.9 mt -39.02 -30.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . -66.11 -70.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' ALA . . . -37.65 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -63.46 -55.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -85.73 -45.51 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.609 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -39.75 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.76 17.59 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.945 0.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.428 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -40.82 159.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 18.3 mm-40 -80.45 103.81 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -104.75 164.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 97.2 m-85 -151.8 167.65 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.522 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -114.55 110.29 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.71 71.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 77.91 -150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -121.6 71.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 92' ' ' ILE . . . 88.21 78.81 1.28 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' GLY . 3.3 tt 32.18 38.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 0.817 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -100.56 0.54 39.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -95.51 -47.85 2.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.741 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 58.6 t-105 -53.16 -67.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -53.74 -25.98 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -48.75 -46.65 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -88.72 20.52 3.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 47.33 45.3 21.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.68 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -98.07 133.83 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.59 20.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -80.14 177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -79.32 66.63 4.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 31' ' ' ARG . 1.2 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -116.84 136.04 53.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.433 HD13 ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -119.69 147.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -80.92 177.67 2.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -74.96 176.76 9.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.2 t60 70.43 -58.83 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -68.16 -41.64 81.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -55.54 -17.46 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.77 -67.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 1.6 pp -43.48 -47.37 7.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.432 HG22 ' CG ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -53.73 -38.5 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.05 7.74 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -111.62 -41.62 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.83 -31.46 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -41.89 111.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -93.0 129.23 38.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.621 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -102.14 140.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.49 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 13.7 mm -108.04 143.52 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -102.95 79.21 1.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.208 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.01 53.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -89.99 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.196 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.37 -165.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.49 -36.45 8.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -55.52 -32.41 62.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -63.46 -61.28 2.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.27 -18.98 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 21.1 mtt180 -77.8 -66.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.96 175.62 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.201 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 34' ' ' ILE . 16.9 t60 -146.41 -39.08 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.622 ' CD1' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 86.93 169.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.686 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 88.31 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER 72.06 96.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.503 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . . . -144.7 140.3 28.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -112.2 15.09 20.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' ASP . 2.9 tp 56.85 109.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.613 1.195 . . . . 0.0 109.388 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -157.89 80.93 3.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.85 154.78 43.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 45' ' ' LEU . 6.0 tp -43.01 -52.28 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -40.94 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.434 ' N ' ' C ' ' A' ' 42' ' ' LEU . 83.9 t -89.65 -43.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.5 -42.33 87.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -30.99 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' SER . 16.1 mm-40 -74.54 -36.07 63.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.31 -69.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.44 -171.96 18.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 80' ' ' ALA . 5.0 tt -41.73 117.02 1.71 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.412 ' O ' HD23 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.02 129.06 11.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -40.09 -61.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -38.35 -55.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' N ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -92.88 48.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.21 10.75 17.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' GLU . 82.2 t60 -39.2 154.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -36.26 -60.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.385 1.053 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -111.35 138.61 47.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -137.15 168.72 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 8.3 mt -129.9 159.94 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 76' ' ' LEU . 2.2 m-85 -122.74 165.55 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.622 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -178.37 154.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.304 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.474 ' HB ' ' CG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 73' ' ' ALA . 3.8 p -72.76 -7.28 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -58.25 -42.03 85.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -139.7 31.86 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' A' ' 70' ' ' SER . . . -66.17 -22.14 66.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -53.03 -61.43 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -45.42 89.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 93.1 mt -51.62 -31.95 27.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -70.8 -47.88 57.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.06 -11.94 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.05 -55.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.476 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . . . -72.64 -43.01 63.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -37.38 154.39 0.1 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.07 -5.87 22.1 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.957 -2.518 . . . . 0.0 111.039 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.36 149.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.1 120.14 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.534 ' CG2' ' N ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -108.96 165.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.534 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 85.5 m-85 -153.81 139.18 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CG ' ' HB ' ' A' ' 69' ' ' THR . 0.7 OUTLIER -88.74 107.12 18.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -50.82 143.43 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -37.55 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.184 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER 168.29 115.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 92' ' ' ILE . . . -42.86 93.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.474 ' CD1' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER 83.28 -51.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 109.36 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -56.65 -20.99 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -102.34 -37.91 3.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.686 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 36.9 t-105 -60.45 -49.69 76.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER -69.6 -30.42 68.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.02 -65.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.3 -27.45 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 104.47 46.79 1.27 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.647 ' CD1' ' CZ3' ' A' ' 95' ' ' TRP . 2.5 mt -119.65 120.9 30.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.91 28.32 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.59 HG12 ' CD1' ' A' ' 95' ' ' TRP . 2.6 m -79.23 176.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.526 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -80.4 63.32 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 4' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.478 ' N ' ' CG2' ' A' ' 3' ' ' THR . 0.2 OUTLIER -136.99 115.48 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.376 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.472 HD12 ' CA ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -103.13 156.15 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.28 161.56 30.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.3 Cg_endo -75.08 104.33 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.424 1.749 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.7 t-80 160.07 -47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.02 -26.42 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' CA ' HD12 ' A' ' 5' ' ' ILE . . . -64.74 -44.49 89.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.62 -22.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.374 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -83.1 -69.73 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.494 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 2.3 pp -43.54 -46.48 7.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -53.38 -38.41 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.29 10.7 14.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -111.8 -35.19 5.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 157.35 -24.12 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.494 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -38.43 112.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -86.42 110.74 19.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.506 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -91.45 149.18 21.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.584 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 12.3 mm -130.25 144.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.525 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -110.96 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 pp -81.07 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.66 -90.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.84 -171.82 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.74 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.79 -33.96 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -64.31 -40.77 96.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CG ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.62 -10.68 28.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -79.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -27.7 7.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.492 ' CG ' HG23 ' A' ' 102' ' ' VAL . 18.2 mt-10 -152.0 -174.33 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 73.0 t60 -149.61 -118.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.664 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.585 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.38 168.55 0.36 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.711 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.0 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 77.39 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.564 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . . . -131.47 153.66 49.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.46 9.07 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.518 HD23 ' CG ' ' A' ' 29' ' ' TYR . 1.7 tp 64.96 121.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.487 ' CB ' ' CG2' ' A' ' 21' ' ' ILE . . . -172.4 81.62 0.45 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' O ' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -74.97 143.11 28.77 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 tp -46.33 -31.44 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.5 -31.54 35.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -89.99 -47.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.26 -52.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -62.57 -32.21 73.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -141.52 -68.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.67 -177.44 17.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -40.07 136.59 1.29 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.402 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.01 -175.32 2.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 1.28 30.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.95 -48.17 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.619 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.1 39.16 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 56' ' ' HIS . 1.3 ptt180 -106.5 12.89 29.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 1.196 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLN . 8.0 t-80 -37.54 146.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.547 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.4 tp10 -38.31 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 2.1 mt-30 -131.91 126.63 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.453 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -132.48 163.57 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' ILE . 4.9 mt -127.5 160.45 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.584 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 24.7 m-85 -133.89 160.73 36.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.585 ' CE1' HD12 ' A' ' 34' ' ' ILE . 2.1 p-80 -168.62 -177.04 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 62' ' ' HIS . 16.2 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.452 ' HB ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.546 0.212 . . . . 0.0 110.46 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.65 94.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.55 -18.73 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.489 ' O ' ' HB3' ' A' ' 76' ' ' LEU . 1.7 m120 -127.02 42.65 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -95.71 4.25 53.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.98 -34.92 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -58.01 2.64 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.578 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -63.63 -21.0 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . -74.76 -54.19 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.47 -20.2 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 76' ' ' LEU . 2.4 mt -65.5 -49.56 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -86.7 -37.66 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HA ' ' C ' ' A' ' 82' ' ' PRO . . . -39.83 160.1 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -0.65 17.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.998 0.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.88 143.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 25.8 mm-40 -67.11 120.42 13.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -115.87 157.39 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 27.3 m-85 -152.21 169.47 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.068 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' CD2' ' HB ' ' A' ' 69' ' ' THR . 9.8 mt -118.64 127.5 53.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 34' ' ' ILE . 11.8 tp -40.08 -50.2 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' CD ' ' HA3' ' A' ' 94' ' ' GLY . 1.4 pm0 173.77 -36.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER 159.95 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.91 -103.29 2.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -152.49 25.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 4.7 t0 -86.76 2.68 47.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -95.76 -65.02 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.711 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 63.4 t-105 -39.92 -37.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tptt -76.2 -47.05 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -42.43 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.44 ' CB ' HD12 ' A' ' 100' ' ' LEU . . . -47.96 -25.28 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 93.78 45.29 3.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.59 HD13 ' CE3' ' A' ' 95' ' ' TRP . 1.5 mt -111.95 126.47 28.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 134.98 18.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.492 HG23 ' CG ' ' A' ' 32' ' ' GLU . 2.2 m -77.95 178.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.472 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.97 82.65 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.593 ' O ' ' C ' ' A' ' 4' ' ' THR . 2.3 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.593 ' C ' ' O ' ' A' ' 3' ' ' THR . 26.6 p -20.04 98.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 3.2 tt -92.73 151.31 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -83.06 178.79 2.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.5 Cg_endo -74.99 179.76 5.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.0 -59.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -39.43 75.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 88' ' ' LEU . . . -61.73 -41.24 97.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -55.15 -19.09 6.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.69 -70.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.573 ' CD2' ' CD1' ' A' ' 5' ' ' ILE . 2.0 pp -41.46 -46.44 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -52.93 -38.9 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.63 9.27 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.1 mmt85 -111.25 -30.79 7.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 150.48 -19.62 1.03 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -39.7 106.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -84.54 97.83 9.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 14.8 tp -86.22 144.82 27.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 54' ' ' LEU . 1.8 mm -121.46 152.04 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -103.41 109.62 21.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.502 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -112.61 57.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.53 -54.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.3 -171.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -112.46 -48.37 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ALA . 12.3 m-20 -39.1 -43.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.33 -50.2 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ALA . 17.1 t80 -48.77 -32.49 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.21 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -68.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 24.9 mp0 -99.61 -178.71 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.237 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.402 ' CG ' ' N ' ' A' ' 34' ' ' ILE . 19.8 t-160 -148.79 -114.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.584 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.97 168.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.713 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 70.6 5.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.802 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 84.08 105.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.503 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -172.73 154.82 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -114.19 179.83 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tp -89.68 113.76 25.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.509 ' CB ' HD21 ' A' ' 45' ' ' LEU . . . -168.53 78.56 0.79 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.05 158.05 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 tp -52.72 -19.88 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -68.98 -23.34 64.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' HD23 ' A' ' 45' ' ' LEU . 1.3 m -106.28 -44.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.509 HD21 ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -44.44 -44.37 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -32.85 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.3 mm-40 -76.76 -36.81 56.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.25 -61.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 98.2 -155.74 20.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 55' ' ' ARG . 1.3 tm? -42.26 111.04 0.89 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -75.02 177.95 7.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.422 1.748 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . . . -83.13 -49.16 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.426 ' CG ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.84 -51.62 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.45 40.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HB3' ' HA ' ' A' ' 52' ' ' ALA . 1.9 ptt180 -98.2 4.0 48.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -39.72 155.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.604 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -43.17 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.01 128.22 36.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -134.76 164.32 34.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.368 1.043 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 61' ' ' PHE . 8.3 mt -132.7 154.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.621 ' CG ' HD11 ' A' ' 76' ' ' LEU . 22.9 m-85 -129.99 131.12 45.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CE1' ' O ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -134.7 164.3 27.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.652 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 24.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 73' ' ' ALA . 5.7 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -81.63 -0.21 41.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.63 -16.02 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -156.37 25.81 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -42.12 -27.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -55.54 -56.75 16.63 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -45.45 91.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.621 HD11 ' CG ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -46.88 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.78 -22.58 2.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.437 HG23 ' CZ ' ' A' ' 61' ' ' PHE . 2.5 mt -66.62 -56.65 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.475 ' HB1' ' CG1' ' A' ' 85' ' ' ILE . . . -118.12 71.91 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -127.74 164.68 35.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.09 1.8 15.77 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.028 0.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -36.92 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 34.0 mm-40 -75.2 118.01 17.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -109.43 149.05 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 12.5 m-85 -143.73 169.99 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 4' ' ' THR . 6.9 mt -121.96 128.01 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -83.28 65.42 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 84.24 -38.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER 81.06 90.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 92' ' ' ILE . . . 117.77 29.5 2.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.505 ' CD1' HG13 ' A' ' 34' ' ' ILE . 3.3 tt 33.87 37.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.9 OUTLIER -103.24 -0.21 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.441 ' CA ' ' HG3' ' A' ' 89' ' ' GLU . . . -96.26 -53.27 1.49 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.713 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 50.7 t-105 -44.08 -48.9 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER -68.73 -37.07 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -43.36 -52.18 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 100' ' ' LEU . . . -65.61 -31.53 72.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 96.5 46.94 2.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.647 ' CD1' ' CZ3' ' A' ' 95' ' ' TRP . 0.9 OUTLIER -113.33 134.78 21.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 135.77 19.38 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.484 ' CG2' HG12 ' A' ' 104' ' ' VAL . 3.0 m -78.04 -175.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.85 59.3 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.484 HG12 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 4' ' ' THR . 3.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.688 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.7 p -3.8 98.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 6' ' ' SER . 11.6 tt -98.77 166.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.434 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -102.23 171.64 5.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.08 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.4 Cg_endo -74.96 161.05 39.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 2.1 t-160 87.15 -44.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.61 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.01 -39.21 66.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -68.65 -42.89 77.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.9 -20.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -86.36 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.338 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 1.4 pp -43.87 -46.44 7.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -53.89 -36.02 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.27 10.01 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -110.91 -34.81 6.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.01 -22.4 0.69 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' CB ' HD13 ' A' ' 13' ' ' LEU . . . -39.75 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 mmtt -80.26 117.91 21.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.627 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -98.9 141.08 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.544 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 13.3 mm -118.25 128.21 75.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -98.05 100.2 11.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -101.99 47.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' NE ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -111.17 -48.44 3.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.414 ' H ' ' CD ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -178.57 -178.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . . . -119.6 -14.56 9.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.05 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.479 ' OE1' ' NE ' ' A' ' 24' ' ' ARG . 9.2 pt-20 -47.79 -23.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CD2' HD21 ' A' ' 39' ' ' LEU . 12.7 t80 -74.63 -25.31 59.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.661 ' C ' ' CD2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -61.69 -48.25 81.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.537 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.45 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.619 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -99.56 -172.72 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.647 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 25.4 m-70 -154.14 -118.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.574 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 177.95 171.01 0.45 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.383 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.719 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 83.99 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.515 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 82.65 88.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.492 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -139.66 163.39 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -134.7 13.62 3.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 29' ' ' TYR . 2.9 tp 56.28 111.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -159.02 86.19 2.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 43' ' ' SER . 18.1 Cg_endo -75.05 138.52 23.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 tp -43.79 -28.88 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 41' ' ' PRO . 16.7 m -54.59 -33.31 60.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -87.57 -47.1 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -41.44 -54.59 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -35.49 72.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.7 mm-40 -75.12 -27.88 59.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.84 -71.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 121.34 -171.57 15.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -38.83 121.01 1.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.463 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 18.6 Cg_endo -74.88 155.08 43.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.585 1.834 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -63.81 -57.26 10.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 1.187 . . . . 0.0 109.363 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.13 -52.08 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.01 51.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 4.2 ppt_? -111.81 11.16 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 67.9 t60 -37.98 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.3 -42.94 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.55 121.2 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' A' ' 19' ' ' LYS . 1.9 pt -118.31 -170.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . 3.6 mt -152.63 163.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.544 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 12.3 m-85 -135.47 172.55 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CD2' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -179.84 165.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.587 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.323 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -56.65 -20.25 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.53 -43.05 98.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -125.27 34.15 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.39 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 70' ' ' SER . . . -84.61 0.39 50.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -37.14 62.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -88.56 -49.58 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.9 mt -43.27 -39.29 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -69.13 -43.45 74.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -72.51 -11.0 60.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 75' ' ' LYS . 2.0 mt -87.75 -53.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . . . -77.77 -22.02 50.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -48.26 163.08 0.31 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -12.36 24.06 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.034 -0.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -37.69 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -77.15 134.16 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 86' ' ' PHE . 1.3 mp -114.98 162.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.48 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 89.9 m-85 -154.47 152.58 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.13 112.62 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.9 tp -74.93 63.52 1.21 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' ASP . 1.3 tp10 70.39 -165.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' GLU . 10.4 m-20 -39.29 -39.61 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.95 -56.07 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.405 ' O ' ' CG2' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -139.18 14.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -22.18 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.1 -60.41 5.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.719 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 64.9 t-105 -47.64 -45.74 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -69.52 -35.04 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 109.223 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.425 ' CB ' ' HG3' ' A' ' 7' ' ' PRO . 7.9 tptt -40.1 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.87 51.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 112.91 45.09 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.612 ' CB ' ' CE2' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -115.72 139.5 24.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.539 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.94 -89.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.759 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER 173.09 -174.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.647 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -81.34 51.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.501 ' CG2' HG22 ' A' ' 102' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.687 ' O ' ' C ' ' A' ' 4' ' ' THR . 2.3 m . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.535 0.207 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.687 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.9 p 2.17 101.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.448 HD13 ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -108.16 143.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' CD1' ' A' ' 5' ' ' ILE . 5.7 m -72.03 150.23 92.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.465 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 18.2 Cg_endo -75.01 59.38 5.18 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.561 1.821 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' A' ' 7' ' ' PRO . 11.0 m-70 -153.0 -45.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.634 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.63 -16.71 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.473 ' O ' ' HB ' ' A' ' 14' ' ' ILE . . . -80.8 -37.89 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -52.7 -19.32 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.46 -69.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -41.59 -46.11 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -50.75 -37.79 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -89.58 20.65 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.3 mtt180 -119.47 -36.65 3.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.27 -26.34 0.24 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -46.37 124.44 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -98.5 123.93 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.623 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -97.43 141.24 30.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.529 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 7.7 mm -109.32 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 40' ' ' ALA . 74.6 m-20 -102.58 76.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.204 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.504 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -79.37 54.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.41 -82.88 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.81 -169.13 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -113.05 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -39.4 -38.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -63.34 -54.06 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 24.0 t80 -53.46 -20.99 5.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.54 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.563 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -95.55 -170.85 2.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 28.8 m-70 -148.35 -114.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.626 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.591 HD11 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.3 169.48 0.3 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.725 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 68.28 5.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER 90.09 106.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.06 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.15 16.75 6.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 40' ' ' ALA . 5.7 tp 61.07 120.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB1' ' CG2' ' A' ' 21' ' ' ILE . . . -174.39 84.83 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 167.18 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' LEU . 9.5 tp -60.24 -56.52 20.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -25.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 42' ' ' LEU . 75.1 t -92.04 -40.74 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -60.25 -48.56 81.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -23.34 64.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -26.5 27.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -67.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 120.95 -169.85 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 1.7 tm? -59.1 120.59 48.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.01 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -78.07 -58.85 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.86 -49.46 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -96.13 48.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.82 10.86 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.8 t-80 -35.45 143.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 12.3 tt0 -39.15 -30.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' HIS . 7.9 mt-30 -128.63 134.82 48.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -141.86 167.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.507 HG23 ' N ' ' A' ' 61' ' ' PHE . 7.0 mt -136.69 148.99 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.646 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 19.8 m-85 -118.71 124.2 46.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -124.46 -164.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.657 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 108.292 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.525 ' CB ' HD13 ' A' ' 87' ' ' LEU . 14.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 p -50.9 -30.17 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.22 -24.57 64.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.1 m120 -143.62 44.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -71.9 0.75 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.39 -49.82 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.27 74.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.646 ' CD1' ' CD1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -47.74 -35.86 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -61.36 -49.97 74.77 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.58 26.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.421 ' H ' ' C ' ' A' ' 77' ' ' ALA . 21.6 mt -120.8 -45.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -117.37 -49.68 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.611 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -41.25 169.22 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.611 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 2.53 14.93 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.978 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -41.3 161.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.207 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.41 93.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.458 ' C ' ' CG ' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -109.2 154.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.458 ' CG ' ' C ' ' A' ' 85' ' ' ILE . 19.0 m-85 -156.7 155.45 31.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.525 HD13 ' CB ' ' A' ' 69' ' ' THR . 9.4 tp -107.52 131.52 54.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -79.72 54.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 7.2 mm-40 38.56 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' LEU . 17.5 m-20 -87.42 137.52 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' ASP . . . -36.03 -91.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.62 -31.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' LYS . 16.1 t70 -56.36 -26.5 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -62.12 -55.09 29.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.418 1.074 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.725 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 48.9 t-105 -55.7 -49.12 73.85 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -67.03 -22.03 65.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -51.38 -40.21 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.4 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -92.86 20.16 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.55 61.28 4.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.636 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.9 OUTLIER -118.19 134.33 23.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.99 130.7 13.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.433 1.754 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 95' ' ' TRP . 20.0 m -78.31 -174.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -79.59 54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 102' ' ' VAL . 4.5 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.613 ' O ' ' C ' ' A' ' 4' ' ' THR . 2.0 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.5 p 18.23 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' CD2' ' A' ' 13' ' ' LEU . 1.4 tt -100.33 149.63 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 159.19 39.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.86 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t60 176.16 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.616 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -24.92 37.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.483 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -70.57 -43.73 68.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -20.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.34 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 1.6 pp -42.41 -44.94 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -51.91 -38.92 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -90.15 15.15 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 3.9 mtt180 -113.86 -30.29 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 151.34 -20.15 0.93 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.13 125.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -101.47 107.41 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 11.9 tp -94.91 151.42 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 4.8 mm -121.89 164.17 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -120.11 79.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.78 61.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -91.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -172.85 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -104.32 -52.56 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -39.51 -45.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 30' ' ' LEU . 17.3 mm-40 -45.29 -60.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -42.81 -26.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 tt -61.19 -77.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -71.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -105.58 -175.49 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 6.3 t-160 -141.43 -113.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.64 170.54 0.26 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.761 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.93 81.34 2.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER 68.83 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.49 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -156.91 -178.46 7.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -150.51 123.42 8.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ASP . 6.0 tp -39.13 112.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -165.77 74.41 1.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.1 Cg_endo -75.07 152.75 40.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -35.63 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 66.0 t -84.61 -51.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.48 -42.5 15.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 mt-30 -79.04 -33.47 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.221 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -131.85 -62.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 106.43 -172.92 19.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.392 1.057 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -37.94 114.75 0.77 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.492 ' N ' HD23 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -94.43 -56.04 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -44.52 2.22 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -99.37 45.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' O ' ' O ' ' A' ' 56' ' ' HIS . 3.0 ppt_? -125.25 17.7 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.673 ' O ' ' O ' ' A' ' 55' ' ' ARG . 18.1 t-160 -34.36 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -123.82 -71.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 5.1 mt-30 -106.16 98.35 8.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -86.0 169.94 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' LYS . 4.2 mt -139.88 160.7 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' N ' HG22 ' A' ' 60' ' ' ILE . 2.8 m-85 -127.21 169.18 13.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.646 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -178.69 166.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 p -53.45 -20.49 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.0 -30.72 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -157.64 44.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -79.29 -4.58 51.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -53.55 45.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -55.57 9.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.3 -38.23 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . -60.88 -42.2 97.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.12 63.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -63.74 -67.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.481 ' N ' ' CG2' ' A' ' 79' ' ' ILE . . . -86.85 45.74 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -115.76 163.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 1.84 15.32 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.018 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -36.02 145.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -76.21 119.99 20.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 1.3 mp -108.34 166.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.577 ' CE2' HG22 ' A' ' 3' ' ' THR . 17.7 m-85 -145.8 146.76 31.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.5 mp -105.29 96.74 6.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . 13.7 tp -52.63 88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.8 tp10 -34.93 137.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 1.4 m-20 62.27 23.63 14.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . . . 41.47 -113.37 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -33.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' ASP . 35.5 t70 -57.08 -23.84 49.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 90' ' ' ASP . . . -76.52 -41.15 25.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.761 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 40.2 t-105 -56.58 -38.22 71.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -81.08 -27.75 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.53 -48.11 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.545 ' CB ' ' CD2' ' A' ' 100' ' ' LEU . . . -72.91 -31.79 64.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.36 24.59 6.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.698 ' HB3' ' CH2' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -87.95 123.16 69.45 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 140.86 25.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.488 ' CG2' HG11 ' A' ' 104' ' ' VAL . 16.7 m -80.3 176.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.11 57.11 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.488 HG11 ' CG2' ' A' ' 102' ' ' VAL . 2.6 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.81 113.81 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.388 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.423 ' CG2' ' N ' ' A' ' 4' ' ' THR . 6.6 m -160.6 169.3 23.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.415 1.072 . . . . 0.0 110.479 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.423 ' N ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -108.54 158.89 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.387 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -150.2 141.43 16.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -61.54 155.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.468 ' HG3' ' CA ' ' A' ' 94' ' ' GLY . 18.3 Cg_endo -75.0 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.54 -51.64 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -19.98 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -77.28 -37.22 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -55.32 -17.17 4.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.536 ' HE2' ' NH2' ' A' ' 16' ' ' ARG . 1.4 tt0 -89.44 -69.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 1.6 pp -41.88 -48.18 4.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -50.58 -41.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.361 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -88.73 16.24 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.536 ' NH2' ' HE2' ' A' ' 12' ' ' GLU . 14.2 mmt180 -117.5 -36.09 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 166.17 -29.05 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.04 115.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -92.67 117.9 30.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.547 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 26.6 tp -103.24 137.46 41.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 12.6 mm -105.97 159.11 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' CE1' ' A' ' 62' ' ' HIS . 1.4 m-20 -108.88 73.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.5 HG23 ' CD1' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -79.82 57.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' CZ ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -133.0 -87.81 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.79 -175.73 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . . . -101.86 -46.64 4.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.08 -40.52 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -49.83 -62.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -40.87 -35.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.77 -76.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -72.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -106.9 178.89 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.425 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 10.2 t-80 -136.14 -121.16 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.562 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.605 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.71 168.97 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.694 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.94 81.61 2.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.584 1.834 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.3 OUTLIER 71.78 102.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.534 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -168.86 150.33 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.27 141.35 51.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 13.8 tp -45.15 129.23 7.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . 177.26 71.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.526 ' O ' HG13 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.01 150.67 38.47 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 tp -46.01 -24.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' PRO . 32.9 m -66.65 -31.13 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.531 HG11 ' N ' ' A' ' 45' ' ' LEU . 4.0 p -88.26 -35.65 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' N ' HG11 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -54.49 -53.04 59.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -22.96 66.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -22.56 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 22.1 p -140.98 -75.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 126.94 175.01 13.96 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 1.4 tm? -39.28 121.03 1.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.211 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 18.0 Cg_endo -75.02 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -85.49 -48.42 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -49.7 -33.73 16.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.401 ' CB ' HD13 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -114.61 50.06 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 ppt_? -115.77 11.13 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.8 t-80 -35.15 149.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.556 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.16 -36.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -127.77 137.96 52.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' CD1' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -142.98 168.66 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' N ' HG13 ' A' ' 59' ' ' ILE . 7.1 mt -136.45 165.46 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CD1' HG23 ' A' ' 23' ' ' ILE . 6.0 m-85 -129.91 156.39 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.605 ' CD2' HD12 ' A' ' 34' ' ' ILE . 11.5 p80 -155.31 -164.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p -167.57 171.74 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 1.1 pp0? -50.97 -50.53 57.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 91' ' ' GLY . . . 167.98 105.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.49 -34.45 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 69.22 37.38 2.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.243 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -95.51 18.57 12.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.8 p -71.98 -38.79 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.479 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -22.03 59.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.54 -19.94 60.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 68' ' ' ARG . 2.5 m-80 -126.5 20.1 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -65.65 -11.32 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -56.52 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -55.32 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.7 mt -44.51 -33.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -66.48 -54.37 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.24 -8.06 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 mt -97.48 -48.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.234 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 85' ' ' ILE . . . -95.9 -60.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -40.93 162.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 0.43 16.51 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.002 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 85' ' ' ILE . . . -42.88 120.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 49.7 mm-40 -37.64 99.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.489 ' CD1' ' HB1' ' A' ' 80' ' ' ALA . 1.2 mp -111.39 161.3 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 66.3 m-85 -157.35 -176.89 6.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.8 mt -134.84 130.44 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.1 tp -71.06 61.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.607 1.192 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 51.09 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' LEU . 12.7 m-20 -110.8 150.04 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 65' ' ' ALA . . . -60.88 102.89 0.44 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER 69.35 -54.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.485 ' N ' ' CG2' ' A' ' 92' ' ' ILE . 18.9 t70 -38.93 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.468 ' CA ' ' HG3' ' A' ' 7' ' ' PRO . . . -65.69 -60.96 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.694 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 66.6 t-105 -48.72 -42.74 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 99' ' ' GLY . 8.0 ttpt -73.22 -31.8 64.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.1 tttt -42.38 -64.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.33 -23.52 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 95.82 51.3 1.82 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.623 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 1.4 mt -111.39 127.19 27.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.97 134.46 17.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.496 HG13 ' CD1' ' A' ' 95' ' ' TRP . 3.1 m -78.34 176.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.61 65.12 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 m -88.04 70.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -164.64 127.53 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.23 134.07 42.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.96 -58.8 0.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 77' ' ' ALA . 3.5 mp 50.05 88.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.246 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 m -63.25 152.96 36.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.5 p -107.07 127.3 53.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.27 140.84 31.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 172.01 11.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.905 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.1 Cg_endo -75.02 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 7.9 t-80 87.45 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.24 -34.23 28.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -74.11 -29.06 61.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -65.13 -9.13 20.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -99.15 -66.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 1.5 pp -41.8 -49.2 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -53.04 -37.18 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.81 8.58 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' LEU . 26.2 mmt180 -111.28 -32.59 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 156.18 -23.0 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . -36.26 109.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -84.42 120.23 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 1.1 tt -104.54 137.12 42.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CG2' ' CB ' ' A' ' 40' ' ' ALA . 5.9 mm -113.45 148.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.563 ' HD2' ' NH1' ' A' ' 24' ' ' ARG . 1.3 m-20 -104.93 79.5 1.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.449 ' O ' ' SG ' ' A' ' 63' ' ' CYS . 0.9 OUTLIER -82.27 51.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' NH1' ' HD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -126.36 -89.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.1 -171.95 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' CB ' HD22 ' A' ' 39' ' ' LEU . . . -102.49 -45.82 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 59.5 m-20 -47.73 -25.45 1.24 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.47 -51.47 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.88 -31.2 64.61 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.59 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -53.91 -72.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 22.3 mp0 -108.13 179.85 4.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 7.2 t-160 -137.66 -113.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.561 HD11 ' CG ' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.13 170.33 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.613 1.195 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.703 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.07 85.23 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER 70.37 97.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -158.2 -173.39 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.203 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -163.85 133.72 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 26' ' ' ALA . 8.2 tp -40.26 124.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' CB ' ' CG2' ' A' ' 21' ' ' ILE . . . -172.26 74.75 0.46 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 140.53 25.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 tp -43.41 -33.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -32.6 15.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -88.47 -44.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.3 OUTLIER -41.27 -53.05 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -36.6 79.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.92 -28.6 63.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.41 -72.27 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.24 -177.65 16.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD11 ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -40.47 126.77 1.81 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.409 ' O ' HD11 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.95 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -81.86 -47.92 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -51.46 -32.83 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -116.08 50.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -114.5 12.44 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.9 t60 -34.89 146.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.571 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' HIS . 6.3 tt0 -38.73 -30.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' HIS . 1.9 mp0 -133.37 134.31 43.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -133.85 170.51 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.3 mt -136.14 153.3 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' A' ' 59' ' ' ILE . 5.4 m-85 -125.94 149.45 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -159.17 -167.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -166.55 -166.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' CYS . 35.8 tt0 -38.71 -91.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 179.16 108.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 68' ' ' ARG . . . 102.53 -41.67 2.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.108 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -44.86 -26.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER 81.65 143.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.442 ' HB ' ' CD2' ' A' ' 87' ' ' LEU . 3.7 m -102.46 -5.51 23.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.9 p -83.6 -11.1 57.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.89 -18.16 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -141.67 27.7 1.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' CB ' HD12 ' A' ' 2' ' ' LEU . . . -65.08 -15.14 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -69.11 -56.16 8.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 0.0 109.341 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -74.39 -54.6 7.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 23' ' ' ILE . 74.1 mt -44.78 -28.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -75.62 -46.44 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -87.53 16.72 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.9 mt -112.97 -27.82 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 85' ' ' ILE . . . -111.56 -41.94 3.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -37.41 154.02 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -3.39 19.57 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 120.937 -2.526 . . . . 0.0 110.987 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -39.78 144.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.7 116.02 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 86' ' ' PHE . 1.1 mp -110.22 163.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.49 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 99.4 m-85 -151.71 177.01 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.442 ' CD2' ' HB ' ' A' ' 69' ' ' THR . 71.2 mt -130.01 111.99 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' ASP . 16.2 tp -61.27 88.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 1.7 tp10 36.43 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' LEU . 1.5 m-20 -125.0 77.15 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.54 -103.99 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.439 ' C ' ' N ' ' A' ' 94' ' ' GLY . 0.7 OUTLIER -101.92 -25.29 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -42.51 -28.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -73.83 -61.1 3.41 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.715 ' CZ2' ' HB3' ' A' ' 100' ' ' LEU . 43.4 t-105 -47.23 -42.24 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 94' ' ' GLY . 2.5 tptt -43.65 -67.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.492 ' CB ' HD23 ' A' ' 100' ' ' LEU . . . -58.35 -22.95 55.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.66 24.27 16.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.345 1.028 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.715 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -74.18 133.57 78.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.05 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -80.89 163.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.58 91.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 106' ' ' LYS . 5.3 m -98.17 177.37 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -46.7 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' VAL . 9.9 mttt 51.69 97.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.367 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 p -86.71 -7.42 58.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.408 1.068 . . . . 0.0 109.956 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 8.1 mt -97.13 -46.06 6.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 m 64.57 152.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.482 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.418 ' C ' ' CG2' ' A' ' 5' ' ' ILE . 80.7 p -90.3 -170.47 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' CG2' ' C ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -175.71 149.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -72.65 157.27 89.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 94' ' ' GLY . 18.2 Cg_endo -74.92 -8.32 20.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.575 1.829 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.37 -44.82 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.632 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -28.47 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -71.29 -42.95 68.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' NE2' HD23 ' A' ' 100' ' ' LEU . 57.8 tt0 -55.07 -17.42 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.29 -67.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.508 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 1.3 pp -43.41 -47.87 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -35.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.99 8.41 15.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 12.2 mtp180 -113.78 -40.29 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.23 -29.05 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -38.89 109.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -80.85 152.34 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.526 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 14.4 tp -136.67 141.26 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.5 mm -109.03 160.08 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -113.44 71.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -79.16 61.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.432 ' NH2' ' HA ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.08 -78.15 0.59 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.9 -172.12 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.96 -55.18 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.22 -36.38 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLU . 21.3 mm-40 -54.2 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CD2' HD13 ' A' ' 39' ' ' LEU . 75.7 t80 -42.23 -35.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.6 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -44.78 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' GLU . 2.3 mp0 -107.74 172.56 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.484 ' C ' HG22 ' A' ' 102' ' ' VAL . 1.3 t60 -128.62 -119.51 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.586 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 0.0 OUTLIER 174.34 168.64 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.684 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.02 81.41 2.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 74.51 100.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.503 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -169.33 169.8 8.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -139.13 123.69 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 29' ' ' TYR . 6.6 tt -36.65 131.18 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 178.9 78.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.92 153.6 42.32 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 76' ' ' LEU . 5.0 tp -41.61 -54.44 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LEU . 38.6 m -38.66 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' GLN . 61.0 t -88.57 -50.94 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.2 OUTLIER -43.95 -45.54 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -33.38 72.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -74.16 -35.28 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' VAL . 16.7 t -131.24 -61.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 103.04 178.95 26.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -37.63 115.96 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.478 ' N ' HD21 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 171.07 19.04 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.44 -1.49 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' NZ ' ' OD1' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -92.4 -31.82 15.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 1.2 mt -111.02 39.34 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -96.41 9.35 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 52.8 t-80 -38.17 146.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.25 -46.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -129.07 126.28 39.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.52 HG13 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -119.97 -174.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.52 ' N ' HG13 ' A' ' 59' ' ' ILE . 68.8 mt -146.64 166.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -134.2 154.18 51.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -163.02 162.1 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 67' ' ' LYS . 8.5 p -141.59 -173.33 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -166.99 68.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.28 36.96 0.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 63' ' ' CYS . 10.7 mtmt 63.66 -98.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 56.23 18.84 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.499 ' HB ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -109.64 -81.72 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -47.51 -37.29 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 72' ' ' ASN . 2.2 m-80 -51.44 -24.75 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 71' ' ' ASN . 0.3 OUTLIER -141.25 40.51 1.77 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -78.18 -6.52 55.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.81 -51.7 15.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -77.89 -55.51 5.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 42' ' ' LEU . 49.4 mt -44.44 -35.92 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . -71.14 -44.73 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -64.61 -15.08 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 mt -76.27 -56.01 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.33 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.576 ' CB ' ' CD1' ' A' ' 85' ' ' ILE . . . -104.98 45.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.524 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -108.99 165.36 12.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 1.76 15.38 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.051 -0.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 85' ' ' ILE . . . -43.65 118.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -52.55 147.97 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.576 ' CD1' ' CB ' ' A' ' 80' ' ' ALA . 3.3 mt -146.3 160.18 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -137.45 177.17 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.499 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 1.2 mm? -116.45 97.38 5.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 10' ' ' ALA . 4.5 tp -56.71 86.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER 38.54 -158.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.222 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.76 65.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 74.87 -100.4 1.22 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.41 ' C ' ' N ' ' A' ' 94' ' ' GLY . 16.7 tt -109.98 -22.16 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 0.713 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -45.4 -26.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.498 ' O ' ' CG ' ' A' ' 7' ' ' PRO . . . -66.87 -46.86 70.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.623 1.202 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.684 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 57.9 t-105 -57.6 -37.24 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -81.57 -29.71 33.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.4 tmtm? -50.49 -44.03 55.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.46 ' CB ' HD13 ' A' ' 100' ' ' LEU . . . -90.21 18.12 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.82 69.0 1.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.577 HD12 ' CZ3' ' A' ' 95' ' ' TRP . 3.2 mt -125.24 129.43 24.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.66 10.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.561 1.822 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.586 ' CG2' ' N ' ' A' ' 34' ' ' ILE . 1.0 OUTLIER -77.02 -172.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.89 74.7 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.485 HG12 ' CG1' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -95.97 138.43 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -46.99 119.89 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.06 160.65 16.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.6 t 177.36 103.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.949 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -39.68 -38.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.361 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 3.4 m 65.45 156.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -107.88 126.66 52.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.461 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -106.6 153.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -88.45 176.71 3.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.01 179.62 5.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 9.4 t-80 81.11 -51.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.581 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.58 -37.67 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -61.54 -50.0 74.44 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.11 -20.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -86.97 -69.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 1.4 pp -42.59 -44.19 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -52.57 -42.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -87.4 13.77 9.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -113.02 -32.81 6.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 158.89 -25.03 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -38.93 107.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 99.59 11.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.566 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -84.39 138.24 32.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.491 ' CG2' ' CB ' ' A' ' 40' ' ' ALA . 5.8 mm -110.98 140.5 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' OD1' ' NE2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -100.43 96.94 7.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.495 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -105.19 56.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.504 ' NH2' ' N ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.58 -58.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.96 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.22 -45.03 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -43.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' OE1' ' CG ' ' A' ' 64' ' ' GLN . 5.0 mt-10 -57.5 -68.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.504 ' N ' ' NH2' ' A' ' 24' ' ' ARG . 11.7 t80 -41.8 -28.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.81 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' O ' ' CG2' ' A' ' 104' ' ' VAL . 22.5 mtt180 -71.3 -64.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -91.09 -174.29 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 23.6 t-160 -152.41 -117.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.84 168.92 0.38 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.741 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.01 74.13 4.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER 86.48 101.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.23 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -154.85 150.27 27.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.51 9.53 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 22' ' ' ASP . 44.5 tp 66.15 144.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 21' ' ' ILE . . . 173.99 79.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.755 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -38.37 -53.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' LEU . 3.3 m -34.61 -39.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -86.54 -53.35 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.561 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -43.96 -46.03 8.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.12 -34.28 77.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.8 mm100 -75.3 -32.5 61.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.92 -65.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 108.06 -156.92 15.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -38.3 105.25 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.5 43.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -64.91 -59.5 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -39.4 -48.72 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -101.6 50.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.61 10.37 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.235 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 55' ' ' ARG . 21.4 t-80 -40.72 161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.621 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.92 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -118.44 143.29 46.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -132.98 168.53 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 13' ' ' LEU . 3.6 mt -139.34 152.76 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 59' ' ' ILE . 1.8 m-85 -124.32 170.82 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER 179.98 -172.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 18.1 p -179.39 -178.77 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.512 ' O ' ' CA ' ' A' ' 91' ' ' GLY . 48.7 mt-30 -47.27 175.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.15 57.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.391 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 67' ' ' LYS . . . -120.32 -33.41 1.04 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.426 ' HG3' ' CB ' ' A' ' 90' ' ' ASP . 4.6 tttp 78.16 60.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -98.95 -29.6 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.522 ' HB ' ' CD1' ' A' ' 87' ' ' LEU . 74.8 p -47.69 -31.28 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.9 p -83.1 -28.77 29.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' ARG . 5.7 m-80 -73.2 -17.49 61.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -138.87 34.54 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.39 -2.13 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -91.22 -48.67 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -77.75 -62.05 1.79 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.619 1.2 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.47 ' CD2' HD23 ' A' ' 42' ' ' LEU . 63.9 mt -39.02 -30.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . -66.11 -70.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' ALA . . . -37.65 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -63.46 -55.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -85.73 -45.51 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.609 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -39.75 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.76 17.59 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.945 0.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.428 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -40.82 159.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 18.3 mm-40 -80.45 103.81 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -104.75 164.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 97.2 m-85 -151.8 167.65 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.522 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -114.55 110.29 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.71 71.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 77.91 -150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.426 ' CB ' ' HG3' ' A' ' 67' ' ' LYS . 13.1 p-10 -121.6 71.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 92' ' ' ILE . . . 88.21 78.81 1.28 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' GLY . 3.3 tt 32.18 38.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 0.817 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -100.56 0.54 39.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -95.51 -47.85 2.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.741 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 58.6 t-105 -53.16 -67.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -53.74 -25.98 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -48.75 -46.65 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -88.72 20.52 3.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 47.33 45.3 21.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.68 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -98.07 133.83 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.59 20.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -80.14 177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -79.32 66.63 4.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 31' ' ' ARG . 1.2 p -104.07 142.16 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 53.56 98.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -56.31 -66.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -63.48 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.232 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.481 ' CD1' ' CG2' ' A' ' 85' ' ' ILE . 3.2 mm? -42.37 -91.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER 69.54 161.1 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -116.84 136.04 53.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.433 HD13 ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -119.69 147.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -80.92 177.67 2.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -74.96 176.76 9.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.2 t60 70.43 -58.83 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -68.16 -41.64 81.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -55.54 -17.46 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.77 -67.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 1.6 pp -43.48 -47.37 7.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.432 HG22 ' CG ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -53.73 -38.5 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.05 7.74 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -111.62 -41.62 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.83 -31.46 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -41.89 111.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -93.0 129.23 38.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.621 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -102.14 140.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.49 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 13.7 mm -108.04 143.52 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -102.95 79.21 1.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.208 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.01 53.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.51 -89.99 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.196 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.37 -165.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.49 -36.45 8.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -55.52 -32.41 62.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -63.46 -61.28 2.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.27 -18.98 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.66 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 21.1 mtt180 -77.8 -66.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.96 175.62 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.201 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 34' ' ' ILE . 16.9 t60 -146.41 -39.08 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.622 ' CD1' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 86.93 169.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.686 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 88.31 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER 72.06 96.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.503 ' CB ' ' OD1' ' A' ' 22' ' ' ASP . . . -144.7 140.3 28.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -112.2 15.09 20.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' ASP . 2.9 tp 56.85 109.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.613 1.195 . . . . 0.0 109.388 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -157.89 80.93 3.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.85 154.78 43.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 45' ' ' LEU . 6.0 tp -43.01 -52.28 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -40.94 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.434 ' N ' ' C ' ' A' ' 42' ' ' LEU . 83.9 t -89.65 -43.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.5 -42.33 87.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -30.99 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' SER . 16.1 mm-40 -74.54 -36.07 63.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.31 -69.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.44 -171.96 18.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 80' ' ' ALA . 5.0 tt -41.73 117.02 1.71 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' O ' HD23 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.02 129.06 11.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -40.09 -61.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -38.35 -55.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' N ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -92.88 48.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.21 10.75 17.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' GLU . 82.2 t60 -39.2 154.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -36.26 -60.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.385 1.053 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -111.35 138.61 47.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -137.15 168.72 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 8.3 mt -129.9 159.94 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 76' ' ' LEU . 2.2 m-85 -122.74 165.55 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.622 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -178.37 154.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.426 ' C ' ' N ' ' A' ' 65' ' ' ALA . 37.5 t -143.04 59.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.304 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER 48.56 20.44 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 64' ' ' GLN . . . 159.32 120.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 67' ' ' LYS . . . -79.12 -123.08 0.35 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.514 1.134 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER 30.92 46.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 9.0 ptm180 179.3 -31.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.474 ' HB ' ' CG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -49.79 -32.12 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.44 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 73' ' ' ALA . 3.8 p -72.76 -7.28 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 68' ' ' ARG . 93.8 m-20 -58.25 -42.03 85.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -139.7 31.86 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' A' ' 70' ' ' SER . . . -66.17 -22.14 66.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -53.03 -61.43 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -45.42 89.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 61' ' ' PHE . 93.1 mt -51.62 -31.95 27.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -70.8 -47.88 57.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.06 -11.94 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.05 -55.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.476 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . . . -72.64 -43.01 63.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -37.38 154.39 0.1 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.07 -5.87 22.1 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.957 -2.518 . . . . 0.0 111.039 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.36 149.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.1 120.14 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.534 ' CG2' ' N ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -108.96 165.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.534 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 85.5 m-85 -153.81 139.18 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.474 ' CG ' ' HB ' ' A' ' 69' ' ' THR . 0.7 OUTLIER -88.74 107.12 18.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -50.82 143.43 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -37.55 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.184 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER 168.29 115.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 92' ' ' ILE . . . -42.86 93.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.474 ' CD1' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER 83.28 -51.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 109.36 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -56.65 -20.99 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -102.34 -37.91 3.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.686 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 36.9 t-105 -60.45 -49.69 76.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER -69.6 -30.42 68.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.02 -65.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.3 -27.45 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 104.47 46.79 1.27 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.647 ' CD1' ' CZ3' ' A' ' 95' ' ' TRP . 2.5 mt -119.65 120.9 30.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.91 28.32 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.59 HG12 ' CD1' ' A' ' 95' ' ' TRP . 2.6 m -79.23 176.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.526 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . . . -80.4 63.32 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -78.93 -179.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 106' ' ' LYS . 8.3 t30 -114.78 52.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 5.4 tptt 87.48 132.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 106' ' ' LYS . 57.6 p -38.75 153.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.354 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' CB ' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -38.36 -89.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 4' ' ' THR . 1.0 OUTLIER 179.38 166.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.19 . . . . 0.0 110.443 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.478 ' N ' ' CG2' ' A' ' 3' ' ' THR . 0.2 OUTLIER -136.99 115.48 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.376 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.472 HD12 ' CA ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -103.13 156.15 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.28 161.56 30.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.3 Cg_endo -75.08 104.33 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.424 1.749 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.7 t-80 160.07 -47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.02 -26.42 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' CA ' HD12 ' A' ' 5' ' ' ILE . . . -64.74 -44.49 89.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.62 -22.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.374 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -83.1 -69.73 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 2.3 pp -43.54 -46.48 7.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -53.38 -38.41 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.29 10.7 14.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -111.8 -35.19 5.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 157.35 -24.12 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.494 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -38.43 112.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -86.42 110.74 19.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.506 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -91.45 149.18 21.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.584 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 12.3 mm -130.25 144.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.525 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -110.96 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 pp -81.07 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.66 -90.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.84 -171.82 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.74 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.79 -33.96 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -64.31 -40.77 96.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CG ' HD23 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.62 -10.68 28.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -79.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -27.7 7.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.492 ' CG ' HG23 ' A' ' 102' ' ' VAL . 18.2 mt-10 -152.0 -174.33 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 73.0 t60 -149.61 -118.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.664 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.585 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.38 168.55 0.36 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.711 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.0 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 77.39 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.564 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . . . -131.47 153.66 49.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.46 9.07 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.518 HD23 ' CG ' ' A' ' 29' ' ' TYR . 1.7 tp 64.96 121.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.487 ' CB ' ' CG2' ' A' ' 21' ' ' ILE . . . -172.4 81.62 0.45 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' O ' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -74.97 143.11 28.77 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 tp -46.33 -31.44 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.5 -31.54 35.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -89.99 -47.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.26 -52.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -62.57 -32.21 73.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -141.52 -68.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.67 -177.44 17.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' GLY . 0.9 OUTLIER -40.07 136.59 1.29 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.402 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.01 -175.32 2.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 1.28 30.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.95 -48.17 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.619 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.1 39.16 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 56' ' ' HIS . 1.3 ptt180 -106.5 12.89 29.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 1.196 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLN . 8.0 t-80 -37.54 146.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.547 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.4 tp10 -38.31 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 2.1 mt-30 -131.91 126.63 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.453 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -132.48 163.57 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' ILE . 4.9 mt -127.5 160.45 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.584 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 24.7 m-85 -133.89 160.73 36.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.585 ' CE1' HD12 ' A' ' 34' ' ' ILE . 2.1 p-80 -168.62 -177.04 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 62' ' ' HIS . 16.2 p -178.85 -157.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' OE1' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -52.66 171.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.67 57.12 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.362 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' O ' ' CD ' ' A' ' 68' ' ' ARG . . . -150.57 37.33 0.9 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 69' ' ' THR . 19.7 mtpt 59.33 -102.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' O ' ' A' ' 66' ' ' GLY . 30.4 mmm-85 66.76 -59.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 110.255 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -40.74 -44.32 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.46 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.65 94.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . 6.4 m-20 -58.55 -18.73 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.489 ' O ' ' HB3' ' A' ' 76' ' ' LEU . 1.7 m120 -127.02 42.65 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -95.71 4.25 53.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.98 -34.92 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -58.01 2.64 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.578 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -63.63 -21.0 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HB1' ' CD2' ' A' ' 2' ' ' LEU . . . -74.76 -54.19 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.47 -20.2 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 76' ' ' LEU . 2.4 mt -65.5 -49.56 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -86.7 -37.66 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HA ' ' C ' ' A' ' 82' ' ' PRO . . . -39.83 160.1 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -0.65 17.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.998 0.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.88 143.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 25.8 mm-40 -67.11 120.42 13.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.502 HG22 ' CB ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -115.87 157.39 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 27.3 m-85 -152.21 169.47 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.068 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.489 ' HG ' ' CD1' ' A' ' 2' ' ' LEU . 9.8 mt -118.64 127.5 53.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 34' ' ' ILE . 11.8 tp -40.08 -50.2 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' CD ' ' HA3' ' A' ' 94' ' ' GLY . 1.4 pm0 173.77 -36.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER 159.95 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 64' ' ' GLN . . . 87.91 -103.29 2.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -152.49 25.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 4.7 t0 -86.76 2.68 47.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -95.76 -65.02 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.711 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 63.4 t-105 -39.92 -37.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tptt -76.2 -47.05 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -42.43 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.44 ' CB ' HD12 ' A' ' 100' ' ' LEU . . . -47.96 -25.28 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 93.78 45.29 3.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.59 HD13 ' CE3' ' A' ' 95' ' ' TRP . 1.5 mt -111.95 126.47 28.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 134.98 18.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.492 HG23 ' CG ' ' A' ' 32' ' ' GLU . 2.2 m -77.95 178.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.472 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.97 82.65 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.17 72.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -78.25 163.27 25.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 74.72 -65.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.3 t -104.1 149.86 24.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 110.28 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.0 109.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.593 ' O ' ' C ' ' A' ' 4' ' ' THR . 2.3 m -129.06 51.63 2.03 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.593 ' C ' ' O ' ' A' ' 3' ' ' THR . 26.6 p -20.04 98.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.573 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 3.2 tt -92.73 151.31 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -83.06 178.79 2.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.5 Cg_endo -74.99 179.76 5.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.0 -59.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -39.43 75.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' CB ' ' CD2' ' A' ' 88' ' ' LEU . . . -61.73 -41.24 97.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -55.15 -19.09 6.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.69 -70.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' CD2' ' CD1' ' A' ' 5' ' ' ILE . 2.0 pp -41.46 -46.44 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -52.93 -38.9 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.63 9.27 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.1 mmt85 -111.25 -30.79 7.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 150.48 -19.62 1.03 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -39.7 106.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -84.54 97.83 9.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 14.8 tp -86.22 144.82 27.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 54' ' ' LEU . 1.8 mm -121.46 152.04 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -103.41 109.62 21.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.502 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -112.61 57.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.53 -54.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.3 -171.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' TYR . . . -112.46 -48.37 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ALA . 12.3 m-20 -39.1 -43.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.33 -50.2 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ALA . 17.1 t80 -48.77 -32.49 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.21 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -68.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 24.9 mp0 -99.61 -178.71 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.237 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' CG ' ' N ' ' A' ' 34' ' ' ILE . 19.8 t-160 -148.79 -114.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.584 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.97 168.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.713 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 70.6 5.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.802 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 84.08 105.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.503 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -172.73 154.82 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -114.19 179.83 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tp -89.68 113.76 25.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.509 ' CB ' HD21 ' A' ' 45' ' ' LEU . . . -168.53 78.56 0.79 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' O ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.05 158.05 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 tp -52.72 -19.88 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -68.98 -23.34 64.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' HD23 ' A' ' 45' ' ' LEU . 1.3 m -106.28 -44.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD21 ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -44.44 -44.37 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -32.85 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.3 mm-40 -76.76 -36.81 56.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.25 -61.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 98.2 -155.74 20.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 55' ' ' ARG . 1.3 tm? -42.26 111.04 0.89 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -75.02 177.95 7.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.422 1.748 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . . . -83.13 -49.16 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' CG ' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.84 -51.62 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.45 40.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HB3' ' HA ' ' A' ' 52' ' ' ALA . 1.9 ptt180 -98.2 4.0 48.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -39.72 155.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.604 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -43.17 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.01 128.22 36.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -134.76 164.32 34.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.368 1.043 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 61' ' ' PHE . 8.3 mt -132.7 154.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.621 ' CG ' HD11 ' A' ' 76' ' ' LEU . 22.9 m-85 -129.99 131.12 45.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.617 ' CE1' ' O ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -134.7 164.3 27.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.652 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 24.5 p -120.81 -142.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.5 ' O ' ' CG2' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -96.76 -78.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.533 ' HA ' ' CA ' ' A' ' 91' ' ' GLY . . . -167.39 70.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' LYS . . . -169.07 30.84 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' GLY . 11.3 mttt 38.68 42.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 0.791 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -61.8 -48.27 81.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 73' ' ' ALA . 5.7 p -53.39 -33.94 55.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -81.63 -0.21 41.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.63 -16.02 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -156.37 25.81 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -42.12 -27.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -55.54 -56.75 16.63 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -45.45 91.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.621 HD11 ' CG ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -46.88 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.78 -22.58 2.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.437 HG23 ' CZ ' ' A' ' 61' ' ' PHE . 2.5 mt -66.62 -56.65 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.475 ' HB1' ' CG1' ' A' ' 85' ' ' ILE . . . -118.12 71.91 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -127.74 164.68 35.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.09 1.8 15.77 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.028 0.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -36.92 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 34.0 mm-40 -75.2 118.01 17.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -109.43 149.05 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 12.5 m-85 -143.73 169.99 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 4' ' ' THR . 6.9 mt -121.96 128.01 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -83.28 65.42 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 84.24 -38.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER 81.06 90.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.533 ' CA ' ' HA ' ' A' ' 65' ' ' ALA . . . 117.77 29.5 2.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.505 ' CD1' HG13 ' A' ' 34' ' ' ILE . 3.3 tt 33.87 37.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.9 OUTLIER -103.24 -0.21 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.441 ' CA ' ' HG3' ' A' ' 89' ' ' GLU . . . -96.26 -53.27 1.49 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.713 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 50.7 t-105 -44.08 -48.9 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER -68.73 -37.07 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -43.36 -52.18 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 100' ' ' LEU . . . -65.61 -31.53 72.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 96.5 46.94 2.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.647 ' CD1' ' CZ3' ' A' ' 95' ' ' TRP . 0.9 OUTLIER -113.33 134.78 21.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 135.77 19.38 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.484 ' CG2' HG12 ' A' ' 104' ' ' VAL . 3.0 m -78.04 -175.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.85 59.3 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.484 HG12 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -81.54 81.18 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 54.8 t30 73.85 129.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 63.04 105.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.05 156.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' CD1' HD11 ' A' ' 87' ' ' LEU . 72.3 mt -136.64 -98.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 4' ' ' THR . 3.4 m -159.16 25.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 0.0 110.443 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.688 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.7 p -3.8 98.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 6' ' ' SER . 11.6 tt -98.77 166.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -102.23 171.64 5.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.08 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.4 Cg_endo -74.96 161.05 39.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 2.1 t-160 87.15 -44.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.61 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.01 -39.21 66.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -68.65 -42.89 77.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.9 -20.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -86.36 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.338 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 1.4 pp -43.87 -46.44 7.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -53.89 -36.02 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.27 10.01 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -110.91 -34.81 6.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.01 -22.4 0.69 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' CB ' HD13 ' A' ' 13' ' ' LEU . . . -39.75 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 mmtt -80.26 117.91 21.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.627 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -98.9 141.08 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.544 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 13.3 mm -118.25 128.21 75.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -98.05 100.2 11.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -101.99 47.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' NE ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -111.17 -48.44 3.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.414 ' H ' ' CD ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -178.57 -178.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . . . -119.6 -14.56 9.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.05 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' OE1' ' NE ' ' A' ' 24' ' ' ARG . 9.2 pt-20 -47.79 -23.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CD2' HD21 ' A' ' 39' ' ' LEU . 12.7 t80 -74.63 -25.31 59.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.661 ' C ' ' CD2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -61.69 -48.25 81.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.537 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.45 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.619 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -99.56 -172.72 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.647 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 25.4 m-70 -154.14 -118.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.574 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 177.95 171.01 0.45 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.383 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.719 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 83.99 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.515 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 82.65 88.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.492 ' CB ' HG23 ' A' ' 34' ' ' ILE . . . -139.66 163.39 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -134.7 13.62 3.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 29' ' ' TYR . 2.9 tp 56.28 111.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -159.02 86.19 2.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 43' ' ' SER . 18.1 Cg_endo -75.05 138.52 23.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 tp -43.79 -28.88 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 41' ' ' PRO . 16.7 m -54.59 -33.31 60.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.9 OUTLIER -87.57 -47.1 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.4 OUTLIER -41.44 -54.59 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -35.49 72.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.7 mm-40 -75.12 -27.88 59.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.84 -71.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 121.34 -171.57 15.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -38.83 121.01 1.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.463 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 18.6 Cg_endo -74.88 155.08 43.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.585 1.834 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -63.81 -57.26 10.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 1.187 . . . . 0.0 109.363 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.13 -52.08 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.01 51.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 4.2 ppt_? -111.81 11.16 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 67.9 t60 -37.98 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.3 -42.94 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.55 121.2 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' A' ' 19' ' ' LYS . 1.9 pt -118.31 -170.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . 3.6 mt -152.63 163.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.544 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 12.3 m-85 -135.47 172.55 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CD2' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -179.84 165.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.587 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.7 t 174.47 141.75 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.323 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 50.86 -161.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.99 54.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' N ' ' HB3' ' A' ' 90' ' ' ASP . . . -173.17 66.08 0.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt 40.78 51.01 3.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -97.09 8.35 44.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.231 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.94 -51.77 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -56.65 -20.25 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.53 -43.05 98.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -125.27 34.15 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.39 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 70' ' ' SER . . . -84.61 0.39 50.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -37.14 62.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -88.56 -49.58 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.9 mt -43.27 -39.29 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -69.13 -43.45 74.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -72.51 -11.0 60.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 75' ' ' LYS . 2.0 mt -87.75 -53.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . . . -77.77 -22.02 50.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -48.26 163.08 0.31 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -12.36 24.06 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.034 -0.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -37.69 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -77.15 134.16 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 86' ' ' PHE . 1.3 mp -114.98 162.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.48 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 89.9 m-85 -154.47 152.58 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -107.13 112.62 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.9 tp -74.93 63.52 1.21 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' ASP . 1.3 tp10 70.39 -165.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' HB3' ' N ' ' A' ' 66' ' ' GLY . 10.4 m-20 -39.29 -39.61 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.95 -56.07 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.405 ' O ' ' CG2' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -139.18 14.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -22.18 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.1 -60.41 5.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.719 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 64.9 t-105 -47.64 -45.74 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -69.52 -35.04 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 109.223 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' CB ' ' HG3' ' A' ' 7' ' ' PRO . 7.9 tptt -40.1 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.87 51.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 112.91 45.09 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.612 ' CB ' ' CE2' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -115.72 139.5 24.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.539 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.94 -89.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.759 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER 173.09 -174.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.647 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -81.34 51.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.501 ' CG2' HG22 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -79.35 118.25 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -42.56 -66.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 120.57 10.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.42 173.89 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 85' ' ' ILE . 11.3 mp 46.87 -107.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.687 ' O ' ' C ' ' A' ' 4' ' ' THR . 2.3 m -164.42 25.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.687 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.9 p 2.17 101.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.448 HD13 ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -108.16 143.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' CD1' ' A' ' 5' ' ' ILE . 5.7 m -72.03 150.23 92.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.465 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 18.2 Cg_endo -75.01 59.38 5.18 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.561 1.821 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' A' ' 7' ' ' PRO . 11.0 m-70 -153.0 -45.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.634 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.63 -16.71 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.473 ' O ' ' HB ' ' A' ' 14' ' ' ILE . . . -80.8 -37.89 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -52.7 -19.32 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.46 -69.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -41.59 -46.11 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -50.75 -37.79 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -89.58 20.65 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.3 mtt180 -119.47 -36.65 3.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.27 -26.34 0.24 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -46.37 124.44 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -98.5 123.93 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.623 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -97.43 141.24 30.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.529 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 7.7 mm -109.32 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 40' ' ' ALA . 74.6 m-20 -102.58 76.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.204 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.504 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -79.37 54.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.41 -82.88 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.81 -169.13 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -113.05 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -39.4 -38.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -63.34 -54.06 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 24.0 t80 -53.46 -20.99 5.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.54 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.563 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -95.55 -170.85 2.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 28.8 m-70 -148.35 -114.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.626 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.591 HD11 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.3 169.48 0.3 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.725 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 68.28 5.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER 90.09 106.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.06 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.15 16.75 6.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 40' ' ' ALA . 5.7 tp 61.07 120.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB1' ' CG2' ' A' ' 21' ' ' ILE . . . -174.39 84.83 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 167.18 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' LEU . 9.5 tp -60.24 -56.52 20.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -25.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 42' ' ' LEU . 75.1 t -92.04 -40.74 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -60.25 -48.56 81.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -23.34 64.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -26.5 27.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -67.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 120.95 -169.85 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.573 ' CD1' ' O ' ' A' ' 51' ' ' PRO . 1.7 tm? -59.1 120.59 48.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.01 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -78.07 -58.85 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.86 -49.46 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -96.13 48.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.82 10.86 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.8 t-80 -35.45 143.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 12.3 tt0 -39.15 -30.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' HIS . 7.9 mt-30 -128.63 134.82 48.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -141.86 167.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.507 HG23 ' N ' ' A' ' 61' ' ' PHE . 7.0 mt -136.69 148.99 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.646 ' CD1' ' CD1' ' A' ' 76' ' ' LEU . 19.8 m-85 -118.71 124.2 46.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -124.46 -164.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.657 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 p -172.6 -173.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 108.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -49.57 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -179.9 56.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -155.06 43.72 0.56 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt 41.17 57.57 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -45.41 16.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.525 ' CB ' HD13 ' A' ' 87' ' ' LEU . 14.1 p -64.07 -54.92 26.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 p -50.9 -30.17 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.22 -24.57 64.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' O ' HD22 ' A' ' 76' ' ' LEU . 8.1 m120 -143.62 44.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -71.9 0.75 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.39 -49.82 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.27 74.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.646 ' CD1' ' CD1' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -47.74 -35.86 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -61.36 -49.97 74.77 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.58 26.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.421 ' H ' ' C ' ' A' ' 77' ' ' ALA . 21.6 mt -120.8 -45.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -117.37 -49.68 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.611 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -41.25 169.22 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.611 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 2.53 14.93 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.978 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -41.3 161.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.207 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -60.41 93.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.467 ' CG2' HD21 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -109.2 154.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.458 ' CG ' ' C ' ' A' ' 85' ' ' ILE . 19.0 m-85 -156.7 155.45 31.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.525 HD13 ' CB ' ' A' ' 69' ' ' THR . 9.4 tp -107.52 131.52 54.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -79.72 54.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 7.2 mm-40 38.56 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' LEU . 17.5 m-20 -87.42 137.52 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' ASP . . . -36.03 -91.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -102.62 -31.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' LYS . 16.1 t70 -56.36 -26.5 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -62.12 -55.09 29.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.418 1.074 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.725 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 48.9 t-105 -55.7 -49.12 73.85 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -67.03 -22.03 65.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -51.38 -40.21 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.4 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 100' ' ' LEU . . . -92.86 20.16 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.55 61.28 4.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.636 HD11 ' CE3' ' A' ' 95' ' ' TRP . 0.9 OUTLIER -118.19 134.33 23.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.99 130.7 13.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.433 1.754 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 95' ' ' TRP . 20.0 m -78.31 -174.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -79.59 54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 102' ' ' VAL . 4.5 m -80.34 155.41 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.49 158.97 25.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.8 120.33 3.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 m -107.3 135.72 48.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 110.227 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.532 ' CD1' ' CG2' ' A' ' 85' ' ' ILE . 4.5 mm? -54.58 -103.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.613 ' O ' ' C ' ' A' ' 4' ' ' THR . 2.0 m -137.08 6.49 2.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.5 p 18.23 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' CD2' ' A' ' 13' ' ' LEU . 1.4 tt -100.33 149.63 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 159.19 39.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.86 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t60 176.16 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.616 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -24.92 37.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.483 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . . . -70.57 -43.73 68.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -20.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.34 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 10' ' ' ALA . 1.6 pp -42.41 -44.94 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -51.91 -38.92 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -90.15 15.15 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 3.9 mtt180 -113.86 -30.29 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 151.34 -20.15 0.93 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.13 125.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -101.47 107.41 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 11.9 tp -94.91 151.42 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 4.8 mm -121.89 164.17 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -120.11 79.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.78 61.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -91.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -172.85 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -104.32 -52.56 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -39.51 -45.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 30' ' ' LEU . 17.3 mm-40 -45.29 -60.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -42.81 -26.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 tt -61.19 -77.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -71.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -105.58 -175.49 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 6.3 t-160 -141.43 -113.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.646 ' CD1' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.64 170.54 0.26 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.761 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.93 81.34 2.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER 68.83 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' CB ' HG21 ' A' ' 34' ' ' ILE . . . -156.91 -178.46 7.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -150.51 123.42 8.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ASP . 6.0 tp -39.13 112.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -165.77 74.41 1.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' LEU . 18.1 Cg_endo -75.07 152.75 40.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -35.63 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' LEU . 66.0 t -84.61 -51.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.48 -42.5 15.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 mt-30 -79.04 -33.47 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.221 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -131.85 -62.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 106.43 -172.92 19.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.392 1.057 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -37.94 114.75 0.77 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.492 ' N ' HD23 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -94.43 -56.04 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -44.52 2.22 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -99.37 45.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' O ' ' O ' ' A' ' 56' ' ' HIS . 3.0 ppt_? -125.25 17.7 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.673 ' O ' ' O ' ' A' ' 55' ' ' ARG . 18.1 t-160 -34.36 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -123.82 -71.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 5.1 mt-30 -106.16 98.35 8.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -86.0 169.94 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' LYS . 4.2 mt -139.88 160.7 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' N ' HG22 ' A' ' 60' ' ' ILE . 2.8 m-85 -127.21 169.18 13.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.646 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -178.69 166.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 64' ' ' GLN . 40.2 t -165.03 -104.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 63' ' ' CYS . 2.0 tp60 -57.26 -169.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -113.13 50.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.51 -80.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -120.91 -101.68 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 0.748 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.38 -57.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.9 p -61.11 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.609 1.193 . . . . 0.0 110.427 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 p -53.45 -20.49 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.0 -30.72 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -157.64 44.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -79.29 -4.58 51.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -53.55 45.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -55.57 9.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.3 -38.23 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . -60.88 -42.2 97.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.12 63.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -63.74 -67.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.481 ' N ' ' CG2' ' A' ' 79' ' ' ILE . . . -86.85 45.74 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 82' ' ' PRO . . . -115.76 163.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 1.84 15.32 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.018 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -36.02 145.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -76.21 119.99 20.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 1.3 mp -108.34 166.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.577 ' CE2' HG22 ' A' ' 3' ' ' THR . 17.7 m-85 -145.8 146.76 31.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.5 mp -105.29 96.74 6.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . 13.7 tp -52.63 88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.8 tp10 -34.93 137.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 1.4 m-20 62.27 23.63 14.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . . . 41.47 -113.37 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -33.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' ASP . 35.5 t70 -57.08 -23.84 49.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 90' ' ' ASP . . . -76.52 -41.15 25.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.761 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 40.2 t-105 -56.58 -38.22 71.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -81.08 -27.75 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.53 -48.11 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.545 ' CB ' ' CD2' ' A' ' 100' ' ' LEU . . . -72.91 -31.79 64.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.36 24.59 6.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.698 ' HB3' ' CH2' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -87.95 123.16 69.45 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 140.86 25.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.488 ' CG2' HG11 ' A' ' 104' ' ' VAL . 16.7 m -80.3 176.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.11 57.11 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.488 HG11 ' CG2' ' A' ' 102' ' ' VAL . 2.6 m -80.24 85.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -52.59 -63.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -175.23 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.2 m 56.76 81.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.974 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 4' ' ' THR . 6.6 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.479 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -108.54 158.89 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.387 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -150.2 141.43 16.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -61.54 155.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HG3' ' CA ' ' A' ' 94' ' ' GLY . 18.3 Cg_endo -75.0 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.54 -51.64 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -19.98 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -77.28 -37.22 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -55.32 -17.17 4.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.559 ' CD ' HH21 ' A' ' 16' ' ' ARG . 1.4 tt0 -89.44 -69.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 5' ' ' ILE . 1.6 pp -41.88 -48.18 4.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -50.58 -41.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.361 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -88.73 16.24 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.559 HH21 ' CD ' ' A' ' 12' ' ' GLU . 14.2 mmt180 -117.5 -36.09 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 166.17 -29.05 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.04 115.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -92.67 117.9 30.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 26.6 tp -103.24 137.46 41.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.643 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 12.6 mm -105.97 159.11 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' CE1' ' A' ' 62' ' ' HIS . 1.4 m-20 -108.88 73.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.82 57.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' CZ ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -133.0 -87.81 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.79 -175.73 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . . . -101.86 -46.64 4.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.08 -40.52 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -49.83 -62.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -40.87 -35.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.77 -76.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -72.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.736 ' HA ' HG12 ' A' ' 104' ' ' VAL . 2.6 mt-10 -106.9 178.89 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 103' ' ' ALA . 10.2 t-80 -136.14 -121.16 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.562 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.846 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.71 168.97 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.694 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.94 81.61 2.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.584 1.834 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.3 OUTLIER 71.78 102.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -168.86 150.33 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' HB2' ' CD2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -122.27 141.35 51.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 13.8 tp -45.15 129.23 7.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HA ' HG11 ' A' ' 44' ' ' VAL . . . 177.26 71.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.776 ' O ' HG12 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.01 150.67 38.47 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 HD21 ' A' ' 76' ' ' LEU . 14.6 tp -46.01 -24.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' PRO . 32.9 m -66.65 -31.13 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 41' ' ' PRO . 4.0 p -88.26 -35.65 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.687 HD12 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -54.49 -53.04 59.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -22.96 66.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -22.56 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 22.1 p -140.98 -75.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 126.94 175.01 13.96 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD21 ' CD1' ' A' ' 59' ' ' ILE . 1.4 tm? -39.28 121.03 1.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.211 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.798 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.0 Cg_endo -75.02 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -85.49 -48.42 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -49.7 -33.73 16.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.798 HD12 ' HG2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -114.61 50.06 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 ppt_? -115.77 11.13 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.8 t-80 -35.15 149.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.556 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.16 -36.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -127.77 137.96 52.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.715 ' CD1' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -142.98 168.66 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 61' ' ' PHE . 7.1 mt -136.45 165.46 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 60' ' ' ILE . 6.0 m-85 -129.91 156.39 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.846 ' CE1' HD12 ' A' ' 34' ' ' ILE . 11.5 p80 -155.31 -164.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.519 ' CB ' HD22 ' A' ' 87' ' ' LEU . 66.8 p . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.548 0.214 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.598 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -74.15 -22.03 59.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.54 -19.94 60.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -126.5 20.1 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.644 ' O ' ' HB2' ' A' ' 77' ' ' ALA . . . -65.65 -11.32 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -56.52 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -55.32 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 42' ' ' LEU . 39.7 mt -44.51 -33.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -66.48 -54.37 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.24 -8.06 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.687 HG21 HD12 ' A' ' 45' ' ' LEU . 7.4 mt -97.48 -48.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 85' ' ' ILE . . . -95.9 -60.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -40.93 162.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.724 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 0.43 16.51 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.002 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.739 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -42.88 120.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 49.7 mm-40 -37.64 99.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.739 HD13 ' O ' ' A' ' 83' ' ' ALA . 1.2 mp -111.39 161.3 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.535 ' O ' HD23 ' A' ' 87' ' ' LEU . 66.3 m-85 -157.35 -176.89 6.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 86' ' ' PHE . 32.8 mt -134.84 130.44 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.1 tp -71.06 61.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.607 1.192 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 51.09 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' LEU . 12.7 m-20 -110.8 150.04 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -60.88 102.89 0.44 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER 69.35 -54.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 92' ' ' ILE . 18.9 t70 -38.93 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HG3' ' A' ' 7' ' ' PRO . . . -65.69 -60.96 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.996 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 66.6 t-105 -48.72 -42.74 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 99' ' ' GLY . 8.0 ttpt -73.22 -31.8 64.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.1 tttt -42.38 -64.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.33 -23.52 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 95.82 51.3 1.82 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.996 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 1.4 mt -111.39 127.19 27.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.97 134.46 17.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.014 HG23 HG13 ' A' ' 104' ' ' VAL . 3.1 m -78.34 176.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.61 65.12 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 1.014 HG13 HG23 ' A' ' 102' ' ' VAL . 6.3 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.5 p -107.07 127.3 53.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.27 140.84 31.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 172.01 11.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.905 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.1 Cg_endo -75.02 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 7.9 t-80 87.45 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.24 -34.23 28.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -74.11 -29.06 61.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -65.13 -9.13 20.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -99.15 -66.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 10' ' ' ALA . 1.5 pp -41.8 -49.2 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.04 -37.18 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.81 8.58 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 26.2 mmt180 -111.28 -32.59 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 156.18 -23.0 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -36.26 109.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' CD ' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -84.42 120.23 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.688 ' C ' HD13 ' A' ' 21' ' ' ILE . 1.1 tt -104.54 137.12 42.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.714 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 5.9 mm -113.45 148.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD2' ' NE2' ' A' ' 62' ' ' HIS . 1.3 m-20 -104.93 79.5 1.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.064 HD13 HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -82.27 51.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -126.36 -89.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.1 -171.95 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.49 -45.82 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 59.5 m-20 -47.73 -25.45 1.24 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 24' ' ' ARG . 24.7 mm-40 -67.47 -51.47 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.88 -31.2 64.61 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.59 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -53.91 -72.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 22.3 mp0 -108.13 179.85 4.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.73 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 7.2 t-160 -137.66 -113.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.935 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.13 170.33 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.613 1.195 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.703 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.07 85.23 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.566 ' HB2' HG23 ' A' ' 14' ' ' ILE . 0.7 OUTLIER 70.37 97.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.554 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -158.2 -173.39 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.203 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -163.85 133.72 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ASP . 8.2 tp -40.26 124.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.714 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -172.26 74.75 0.46 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.94 140.53 25.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 45' ' ' LEU . 15.1 tp -43.41 -33.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -32.6 15.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.535 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -88.47 -44.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD12 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -41.27 -53.05 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -36.6 79.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.92 -28.6 63.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.41 -72.27 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.24 -177.65 16.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -40.47 126.77 1.81 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.774 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.95 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -81.86 -47.92 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -51.46 -32.83 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.774 HD12 ' HG2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -116.08 50.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.777 ' HA ' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -114.5 12.44 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.9 t60 -34.89 146.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.571 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' HIS . 6.3 tt0 -38.73 -30.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' HIS . 1.9 mp0 -133.37 134.31 43.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -133.85 170.51 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.3 mt -136.14 153.3 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.94 149.45 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.935 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -159.17 -167.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.889 ' HB ' HD22 ' A' ' 87' ' ' LEU . 3.7 m . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.568 0.223 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.834 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 27.9 p -83.6 -11.1 57.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -56.89 -18.16 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -141.67 27.7 1.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.834 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -65.08 -15.14 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -69.11 -56.16 8.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 0.0 109.341 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -74.39 -54.6 7.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.064 HD11 HD13 ' A' ' 23' ' ' ILE . 74.1 mt -44.78 -28.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 73' ' ' ALA . . . -75.62 -46.44 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -87.53 16.72 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 45' ' ' LEU . 9.9 mt -112.97 -27.82 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.677 ' HB1' HD11 ' A' ' 85' ' ' ILE . . . -111.56 -41.94 3.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 82' ' ' PRO . . . -37.41 154.02 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -3.39 19.57 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 120.937 -2.526 . . . . 0.0 110.987 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -39.78 144.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 85' ' ' ILE . 12.6 mm-40 -75.7 116.02 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.677 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.1 mp -110.22 163.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' HD23 ' A' ' 87' ' ' LEU . 99.4 m-85 -151.71 177.01 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.889 HD22 ' HB ' ' A' ' 69' ' ' THR . 71.2 mt -130.01 111.99 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' ASP . 16.2 tp -61.27 88.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 1.7 tp10 36.43 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' LEU . 1.5 m-20 -125.0 77.15 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.54 -103.99 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -101.92 -25.29 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -42.51 -28.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -73.83 -61.1 3.41 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.73 ' O ' HD22 ' A' ' 100' ' ' LEU . 43.4 t-105 -47.23 -42.24 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 94' ' ' GLY . 2.5 tptt -43.65 -67.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 1.005 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . . . -58.35 -22.95 55.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.66 24.27 16.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.345 1.028 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.005 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -74.18 133.57 78.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.05 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.452 ' CG1' ' H ' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -80.89 163.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -78.58 91.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 32' ' ' GLU . 5.3 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.644 ' C ' HG22 ' A' ' 5' ' ' ILE . 80.7 p -90.3 -170.47 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.644 HG22 ' C ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -175.71 149.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -72.65 157.27 89.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 94' ' ' GLY . 18.2 Cg_endo -74.92 -8.32 20.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.575 1.829 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.37 -44.82 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.632 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -28.47 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.508 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -71.29 -42.95 68.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.07 -17.42 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.29 -67.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.712 ' CD1' HD11 ' A' ' 60' ' ' ILE . 1.3 pp -43.41 -47.87 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -35.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.99 8.41 15.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 12.2 mtp180 -113.78 -40.29 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.23 -29.05 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -38.89 109.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.849 ' HG3' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -80.85 152.34 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.627 HD21 HD13 ' A' ' 34' ' ' ILE . 14.4 tp -136.67 141.26 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 20' ' ' LEU . 1.5 mm -109.03 160.08 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -113.44 71.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.531 HG21 ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -79.16 61.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -126.08 -78.15 0.59 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.485 ' CB ' ' HG2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -161.9 -172.12 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -94.96 -55.18 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.22 -36.38 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 21.3 mm-40 -54.2 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.947 ' CB ' HD12 ' A' ' 39' ' ' LEU . 75.7 t80 -42.23 -35.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.6 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.412 ' O ' HG12 ' A' ' 104' ' ' VAL . 5.1 mtt180 -44.78 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HB3' HG11 ' A' ' 102' ' ' VAL . 2.3 mp0 -107.74 172.56 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.675 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 21.1 t-160 -128.62 -119.51 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.746 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.34 168.64 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.685 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.02 81.41 2.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 74.51 100.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.554 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -169.33 169.8 8.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -139.13 123.69 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.947 HD12 ' CB ' ' A' ' 29' ' ' TYR . 6.6 tt -36.65 131.18 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.596 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . 178.9 78.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.787 ' HD3' HD23 ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.92 153.6 42.32 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.589 HD11 HD21 ' A' ' 76' ' ' LEU . 5.0 tp -41.61 -54.44 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LEU . 38.6 m -38.66 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG21 ' HD2' ' A' ' 41' ' ' PRO . 61.0 t -88.57 -50.94 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -43.95 -45.54 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -33.38 72.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -74.16 -35.28 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' VAL . 16.7 t -131.24 -61.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 103.04 178.95 26.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.952 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -37.63 115.96 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.755 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.02 171.07 19.04 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.44 -1.49 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HE2' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -92.4 -31.82 15.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.849 HD23 ' HG3' ' A' ' 19' ' ' LYS . 1.2 mt -111.02 39.34 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -96.41 9.35 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 52.8 t-80 -38.17 146.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.25 -46.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' CG ' ' HB2' ' A' ' 84' ' ' GLU . 12.4 mt-30 -129.07 126.28 39.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.871 HG13 HG23 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -119.97 -174.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.712 HD11 ' CD1' ' A' ' 13' ' ' LEU . 68.8 mt -146.64 166.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.844 ' HE1' HD11 ' A' ' 59' ' ' ILE . 5.6 m-85 -134.2 154.18 51.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.746 ' CE1' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -163.02 162.1 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.294 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.591 ' HB ' HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.761 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -47.51 -37.29 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.44 -24.75 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.25 40.51 1.77 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.761 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -78.18 -6.52 55.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.81 -51.7 15.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -77.89 -55.51 5.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.672 HD22 ' HE2' ' A' ' 61' ' ' PHE . 49.4 mt -44.44 -35.92 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.823 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -71.14 -44.73 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -64.61 -15.08 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.487 HG23 ' H ' ' A' ' 50' ' ' LEU . 1.1 mt -76.27 -56.01 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.065 ' HB3' ' CD1' ' A' ' 85' ' ' ILE . . . -104.98 45.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.823 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -108.99 165.36 12.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.811 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 1.76 15.38 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.051 -0.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -43.65 118.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 58' ' ' GLN . 38.1 mm-40 -52.55 147.97 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.065 ' CD1' ' HB3' ' A' ' 80' ' ' ALA . 3.3 mt -146.3 160.18 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.568 ' O ' HD13 ' A' ' 87' ' ' LEU . 95.2 m-85 -137.45 177.17 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD12 ' HB ' ' A' ' 69' ' ' THR . 1.2 mm? -116.45 97.38 5.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HB2' HG21 ' A' ' 60' ' ' ILE . 4.5 tp -56.71 86.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER 38.54 -158.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.222 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.76 65.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 74.87 -100.4 1.22 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.605 HD12 HG13 ' A' ' 34' ' ' ILE . 16.7 tt -109.98 -22.16 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 0.713 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -45.4 -26.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.498 ' O ' ' CG ' ' A' ' 7' ' ' PRO . . . -66.87 -46.86 70.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.623 1.202 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.946 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 57.9 t-105 -57.6 -37.24 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -81.57 -29.71 33.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.4 tmtm? -50.49 -44.03 55.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -90.21 18.12 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.82 69.0 1.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.946 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 3.2 mt -125.24 129.43 24.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.66 10.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.561 1.822 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.655 ' CG1' HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -77.02 -172.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -93.89 74.7 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG13 ' CG1' ' A' ' 102' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -107.88 126.66 52.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.659 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -106.6 153.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -88.45 176.71 3.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.01 179.62 5.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 9.4 t-80 81.11 -51.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.581 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.58 -37.67 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -61.54 -50.0 74.44 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.11 -20.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -86.97 -69.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.659 HD21 ' CD1' ' A' ' 5' ' ' ILE . 1.4 pp -42.59 -44.19 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -52.57 -42.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -87.4 13.77 9.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -113.02 -32.81 6.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 158.89 -25.03 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.564 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -38.93 107.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 99.59 11.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.854 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -84.39 138.24 32.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.878 HG22 ' HB3' ' A' ' 40' ' ' ALA . 5.8 mm -110.98 140.5 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' ' NE2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -100.43 96.94 7.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -105.19 56.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.508 HH21 ' H ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.58 -58.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.96 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.22 -45.03 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -43.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 5.0 mt-10 -57.5 -68.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' H ' HH21 ' A' ' 24' ' ' ARG . 11.7 t80 -41.8 -28.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -47.81 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.854 ' O ' HG23 ' A' ' 104' ' ' VAL . 22.5 mtt180 -71.3 -64.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -91.09 -174.29 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.865 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 23.6 t-160 -152.41 -117.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.641 ' N ' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER 175.84 168.92 0.38 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.74 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.01 74.13 4.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HB2' HG23 ' A' ' 14' ' ' ILE . 0.0 OUTLIER 86.48 101.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.23 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.589 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -154.85 150.27 27.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.505 ' CG ' HD11 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -120.51 9.53 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 44.5 tp 66.15 144.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.878 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . 173.99 79.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.595 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.755 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -38.37 -53.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' LEU . 3.3 m -34.61 -39.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.595 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -86.54 -53.35 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -43.96 -46.03 8.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.12 -34.28 77.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.8 mm100 -75.3 -32.5 61.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.92 -65.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 108.06 -156.92 15.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -38.3 105.25 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.544 ' HG2' HD23 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.99 156.5 43.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -64.91 -59.5 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.726 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -39.4 -48.72 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.74 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -101.6 50.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.61 10.37 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.235 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 55' ' ' ARG . 21.4 t-80 -40.72 161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.621 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.92 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -118.44 143.29 46.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -132.98 168.53 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 13' ' ' LEU . 3.6 mt -139.34 152.76 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' HD11 ' A' ' 59' ' ' ILE . 1.8 m-85 -124.32 170.82 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.642 ' HA ' HG21 ' A' ' 69' ' ' THR . 0.0 OUTLIER 179.98 -172.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 18.1 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.75 ' HB ' HD11 ' A' ' 87' ' ' LEU . 74.8 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.467 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 78.9 p -83.1 -28.77 29.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.054 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -73.2 -17.49 61.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -138.87 34.54 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 69' ' ' THR . . . -76.39 -2.13 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -91.22 -48.67 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -77.75 -62.05 1.79 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.619 1.2 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.544 HD21 ' CD2' ' A' ' 42' ' ' LEU . 63.9 mt -39.02 -30.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . -66.11 -70.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' ALA . . . -37.65 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -63.46 -55.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.771 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -85.73 -45.51 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -39.75 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.797 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.76 17.59 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.945 0.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.435 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -40.82 159.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.492 ' C ' HD12 ' A' ' 85' ' ' ILE . 18.3 mm-40 -80.45 103.81 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.745 HG12 ' HB3' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -104.75 164.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 97.2 m-85 -151.8 167.65 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.75 HD11 ' HB ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -114.55 110.29 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.71 71.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HG2' ' CA ' ' A' ' 94' ' ' GLY . 2.9 tp10 77.91 -150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -121.6 71.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 92' ' ' ILE . . . 88.21 78.81 1.28 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 92' ' ' ILE . 3.3 tt 32.18 38.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 0.817 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -100.56 0.54 39.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -95.51 -47.85 2.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.74 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 58.6 t-105 -53.16 -67.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -53.74 -25.98 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -48.75 -46.65 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.923 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -88.72 20.52 3.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 47.33 45.3 21.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.923 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -98.07 133.83 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.59 20.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.641 HG12 ' N ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -80.14 177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.865 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -79.32 66.63 4.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.2 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -116.84 136.04 53.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 1.052 HD11 ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -119.69 147.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -80.92 177.67 2.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.875 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 18.1 Cg_endo -74.96 176.76 9.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.2 t60 70.43 -58.83 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 1.052 ' HB2' HD11 ' A' ' 5' ' ' ILE . . . -68.16 -41.64 81.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -55.54 -17.46 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.77 -67.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 18' ' ' ALA . 1.6 pp -43.48 -47.37 7.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -53.73 -38.5 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.05 7.74 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 26.5 mmt180 -111.62 -41.62 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.83 -31.46 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -41.89 111.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -93.0 129.23 38.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.925 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -102.14 140.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.029 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.7 mm -108.04 143.52 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.922 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -102.95 79.21 1.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.208 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.01 53.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.682 HH21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -121.51 -89.99 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.196 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.37 -165.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.49 -36.45 8.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -55.52 -32.41 62.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HB2' ' NE ' ' A' ' 24' ' ' ARG . 16.1 mm-40 -63.46 -61.28 2.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.682 ' HB2' HH21 ' A' ' 24' ' ' ARG . 71.8 t80 -52.27 -18.98 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -48.66 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 21.1 mtt180 -77.8 -66.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.96 175.62 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.201 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.944 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 3.3 t-80 -146.41 -39.08 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.986 HG13 HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 86.93 169.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.686 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 88.31 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER 72.06 96.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.922 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -144.7 140.3 28.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -112.2 15.09 20.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD12 ' HD3' ' A' ' 41' ' ' PRO . 2.9 tp 56.85 109.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.613 1.195 . . . . 0.0 109.388 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 1.029 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -157.89 80.93 3.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HD2' HG21 ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.85 154.78 43.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.59 HD11 HD21 ' A' ' 76' ' ' LEU . 6.0 tp -43.01 -52.28 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -40.94 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' HD2' ' A' ' 41' ' ' PRO . 83.9 t -89.65 -43.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.5 -42.33 87.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -30.99 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' SER . 16.1 mm-40 -74.54 -36.07 63.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.31 -69.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.44 -171.96 18.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' A' ' 55' ' ' ARG . 5.0 tt -41.73 117.02 1.71 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.646 ' HG2' HD23 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.02 129.06 11.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -40.09 -61.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.35 -55.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.646 HD23 ' HG2' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -92.88 48.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.779 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -114.21 10.75 17.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' GLU . 82.2 t60 -39.2 154.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -36.26 -60.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.385 1.053 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 84' ' ' GLU . 3.6 mt-30 -111.35 138.61 47.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.637 HD11 ' HE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -137.15 168.72 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 8.3 mt -129.9 159.94 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.679 ' HE2' HD22 ' A' ' 76' ' ' LEU . 2.2 m-85 -122.74 165.55 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.865 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -178.37 154.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.304 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.458 ' HB ' ' CG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.499 ' N ' HD21 ' A' ' 87' ' ' LEU . 3.8 p -72.76 -7.28 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -58.25 -42.03 85.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -139.7 31.86 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -66.17 -22.14 66.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 13.2 t70 -53.03 -61.43 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -45.42 89.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 ' HE2' ' A' ' 61' ' ' PHE . 93.1 mt -51.62 -31.95 27.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -70.8 -47.88 57.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.06 -11.94 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.05 -55.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.751 ' HB1' HD11 ' A' ' 85' ' ' ILE . . . -72.64 -43.01 63.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -37.38 154.39 0.1 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.07 -5.87 22.1 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.957 -2.518 . . . . 0.0 111.039 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.36 149.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 85' ' ' ILE . 3.1 mp0 -85.1 120.14 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.751 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -108.96 165.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.534 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 85.5 m-85 -153.81 139.18 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.499 HD21 ' N ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -88.74 107.12 18.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.529 HD12 HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -50.82 143.43 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -37.55 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.184 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER 168.29 115.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 92' ' ' ILE . . . -42.86 93.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.986 HD12 HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER 83.28 -51.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 109.36 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -56.65 -20.99 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -102.34 -37.91 3.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 1.063 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 36.9 t-105 -60.45 -49.69 76.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER -69.6 -30.42 68.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.02 -65.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.875 ' HB2' ' HB2' ' A' ' 7' ' ' PRO . . . -52.3 -27.45 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 104.47 46.79 1.27 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.063 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 2.5 mt -119.65 120.9 30.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.91 28.32 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.807 HG23 HG13 ' A' ' 104' ' ' VAL . 2.6 m -79.23 176.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.944 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -80.4 63.32 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.807 HG13 HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 4' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.99 115.48 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.376 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.562 HD13 HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -103.13 156.15 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.28 161.56 30.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.3 Cg_endo -75.08 104.33 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.424 1.749 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.7 t-80 160.07 -47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.02 -26.42 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' HD11 ' A' ' 5' ' ' ILE . . . -64.74 -44.49 89.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.62 -22.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.374 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -83.1 -69.73 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 HD13 ' A' ' 5' ' ' ILE . 2.3 pp -43.54 -46.48 7.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -53.38 -38.41 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.29 10.7 14.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 24.6 mmt180 -111.8 -35.19 5.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 157.35 -24.12 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.515 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -38.43 112.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HD2' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -86.42 110.74 19.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.806 ' O ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -91.45 149.18 21.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.92 HG23 ' HB3' ' A' ' 40' ' ' ALA . 12.3 mm -130.25 144.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -110.96 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 76' ' ' LEU . 1.1 pp -81.07 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NE ' ' HB2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -125.66 -90.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.84 -171.82 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.74 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.79 -33.96 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.411 ' HB2' ' NE ' ' A' ' 24' ' ' ARG . 5.4 mt-10 -64.31 -40.77 96.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.686 ' CG ' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.62 -10.68 28.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -79.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.646 ' O ' HG12 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -50.6 -27.7 7.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' HG21 ' A' ' 102' ' ' VAL . 18.2 mt-10 -152.0 -174.33 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.938 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 73.0 t60 -149.61 -118.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.664 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.02 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 175.38 168.55 0.36 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.712 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.0 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.756 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 77.39 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.02 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -131.47 153.66 49.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.46 9.07 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.686 HD22 ' CG ' ' A' ' 29' ' ' TYR . 1.7 tp 64.96 121.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.92 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -172.4 81.62 0.45 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -74.97 143.11 28.77 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 15.3 tp -46.33 -31.44 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.5 -31.54 35.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -89.99 -47.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.26 -52.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -62.57 -32.21 73.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -141.52 -68.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.67 -177.44 17.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.909 HD12 ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -40.07 136.59 1.29 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.909 ' HD2' HD12 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.01 -175.32 2.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 1.28 30.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.623 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -105.95 -48.17 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.1 39.16 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.748 ' HA ' HD11 ' A' ' 50' ' ' LEU . 1.3 ptt180 -106.5 12.89 29.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 1.196 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLN . 8.0 t-80 -37.54 146.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.547 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.4 tp10 -38.31 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 2.1 mt-30 -131.91 126.63 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -132.48 163.57 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.9 mt -127.5 160.45 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' HD11 ' A' ' 76' ' ' LEU . 24.7 m-85 -133.89 160.73 36.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 1.008 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -168.62 -177.04 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.777 ' HB ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.546 0.212 . . . . 0.0 110.46 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.65 94.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.55 -18.73 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 76' ' ' LEU . 3.0 m-20 -127.02 42.65 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -95.71 4.25 53.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.98 -34.92 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -58.01 2.64 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.879 ' HA ' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -63.63 -21.0 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . -74.76 -54.19 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HA ' ' HB3' ' A' ' 81' ' ' ALA . . . -54.47 -20.2 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.879 HD12 ' HA ' ' A' ' 76' ' ' LEU . 2.4 mt -65.5 -49.56 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' A' ' 50' ' ' LEU . . . -86.7 -37.66 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -39.83 160.1 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.639 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -0.65 17.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.998 0.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -42.88 143.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 85' ' ' ILE . 25.8 mm-40 -67.11 120.42 13.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -115.87 157.39 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 27.3 m-85 -152.21 169.47 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.068 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.777 HD22 ' HB ' ' A' ' 69' ' ' THR . 9.8 mt -118.64 127.5 53.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 34' ' ' ILE . 11.8 tp -40.08 -50.2 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' CD ' ' HA3' ' A' ' 94' ' ' GLY . 1.4 pm0 173.77 -36.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 0.4 OUTLIER 159.95 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.91 -103.29 2.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -152.49 25.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 4.7 t0 -86.76 2.68 47.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -95.76 -65.02 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 1.02 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 63.4 t-105 -39.92 -37.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tptt -76.2 -47.05 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -42.43 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -47.96 -25.28 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 93.78 45.29 3.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.02 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 1.5 mt -111.95 126.47 28.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 134.98 18.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.788 HG12 ' HD1' ' A' ' 95' ' ' TRP . 2.2 m -77.95 178.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.97 82.65 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.997 HG22 HD12 ' A' ' 87' ' ' LEU . 26.6 p -20.04 98.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.744 HD13 HD21 ' A' ' 13' ' ' LEU . 3.2 tt -92.73 151.31 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -83.06 178.79 2.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.5 Cg_endo -74.99 179.76 5.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.0 -59.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -39.43 75.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.925 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -61.73 -41.24 97.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 3.1 tt0 -55.15 -19.09 6.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.69 -70.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.744 HD21 HD13 ' A' ' 5' ' ' ILE . 2.0 pp -41.46 -46.44 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -52.93 -38.9 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.63 9.27 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.1 mmt85 -111.25 -30.79 7.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 150.48 -19.62 1.03 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -39.7 106.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.454 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -84.54 97.83 9.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.872 HD22 HD12 ' A' ' 88' ' ' LEU . 14.8 tp -86.22 144.82 27.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.8 mm -121.46 152.04 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.516 ' O ' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -103.41 109.62 21.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -112.61 57.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.53 -54.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.3 -171.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -112.46 -48.37 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ALA . 12.3 m-20 -39.1 -43.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.33 -50.2 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ALA . 17.1 t80 -48.77 -32.49 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.21 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -68.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 24.9 mp0 -99.61 -178.71 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.237 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.734 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 19.8 t-160 -148.79 -114.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.78 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.97 168.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.713 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 70.6 5.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.802 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 84.08 105.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -172.73 154.82 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -114.19 179.83 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 26' ' ' ALA . 2.4 tp -89.68 113.76 25.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.819 ' HB1' HD21 ' A' ' 45' ' ' LEU . . . -168.53 78.56 0.79 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.05 158.05 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 12.5 tp -52.72 -19.88 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -68.98 -23.34 64.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.514 ' CG1' ' HD2' ' A' ' 41' ' ' PRO . 1.3 m -106.28 -44.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.819 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -44.44 -44.37 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -32.85 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.3 mm-40 -76.76 -36.81 56.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.25 -61.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 98.2 -155.74 20.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 55' ' ' ARG . 1.3 tm? -42.26 111.04 0.89 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' HD22 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 177.95 7.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.422 1.748 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . . . -83.13 -49.16 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.675 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.84 -51.62 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.761 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.45 40.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.951 ' HA ' HD21 ' A' ' 50' ' ' LEU . 1.9 ptt180 -98.2 4.0 48.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -39.72 155.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.604 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.681 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 2.5 mt-10 -43.17 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.01 128.22 36.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.663 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -134.76 164.32 34.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.368 1.043 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.499 HD11 HD13 ' A' ' 13' ' ' LEU . 8.3 mt -132.7 154.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.725 ' HB3' HD12 ' A' ' 76' ' ' LEU . 22.9 m-85 -129.99 131.12 45.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.78 ' CE1' HD12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -134.7 164.3 27.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.652 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.602 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 24.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.834 ' HB ' HD22 ' A' ' 87' ' ' LEU . 5.7 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -81.63 -0.21 41.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.63 -16.02 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -156.37 25.81 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -42.12 -27.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -55.54 -56.75 16.63 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -45.45 91.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -46.88 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.78 -22.58 2.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 45' ' ' LEU . 2.5 mt -66.62 -56.65 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 85' ' ' ILE . . . -118.12 71.91 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.809 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -127.74 164.68 35.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.809 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.09 1.8 15.77 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.028 0.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -36.92 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 34.0 mm-40 -75.2 118.01 17.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -109.43 149.05 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 12.5 m-85 -143.73 169.99 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.997 HD12 HG22 ' A' ' 4' ' ' THR . 6.9 mt -121.96 128.01 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.925 HD21 ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -83.28 65.42 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 84.24 -38.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER 81.06 90.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 92' ' ' ILE . . . 117.77 29.5 2.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 92' ' ' ILE . 3.3 tt 33.87 37.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.9 OUTLIER -103.24 -0.21 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 89' ' ' GLU . . . -96.26 -53.27 1.49 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 1.065 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 50.7 t-105 -44.08 -48.9 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER -68.73 -37.07 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -43.36 -52.18 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.61 -31.53 72.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 96.5 46.94 2.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.065 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.9 OUTLIER -113.33 134.78 21.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 135.77 19.38 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.849 HG12 ' CD1' ' A' ' 95' ' ' TRP . 3.0 m -78.04 -175.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.734 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -78.85 59.3 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.659 HG13 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 4' ' ' THR . 3.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.688 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.7 p -3.8 98.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 9' ' ' ASP . 11.6 tt -98.77 166.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -102.23 171.64 5.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.08 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.4 Cg_endo -74.96 161.05 39.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 2.1 t-160 87.15 -44.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.61 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.444 ' HB3' HD11 ' A' ' 5' ' ' ILE . 5.5 m-20 -73.01 -39.21 66.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -68.65 -42.89 77.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.9 -20.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -86.36 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.338 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 18' ' ' ALA . 1.4 pp -43.87 -46.44 7.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -53.89 -36.02 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.27 10.01 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 19.8 mmt180 -110.91 -34.81 6.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.01 -22.4 0.69 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.505 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -39.75 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.642 ' HD2' HD12 ' A' ' 54' ' ' LEU . 1.2 mmtt -80.26 117.91 21.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.92 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -98.9 141.08 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.811 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.3 mm -118.25 128.21 75.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.583 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -98.05 100.2 11.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.563 HD13 HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -101.99 47.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' NE ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -111.17 -48.44 3.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' H ' ' CD ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -178.57 -178.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -119.6 -14.56 9.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.05 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.479 ' OE1' ' NE ' ' A' ' 24' ' ' ARG . 9.2 pt-20 -47.79 -23.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CD2' HD22 ' A' ' 39' ' ' LEU . 12.7 t80 -74.63 -25.31 59.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.997 HD22 ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -61.69 -48.25 81.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.985 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.45 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -99.56 -172.72 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.845 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 29.6 m80 -154.14 -118.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.574 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.947 ' HA ' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER 177.95 171.01 0.45 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.383 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.72 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 83.99 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 82.65 88.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -139.66 163.39 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -134.7 13.62 3.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 29' ' ' TYR . 2.9 tp 56.28 111.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.811 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -159.02 86.19 2.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.05 138.52 23.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 76' ' ' LEU . 15.1 tp -43.79 -28.88 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 41' ' ' PRO . 16.7 m -54.59 -33.31 60.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -87.57 -47.1 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -41.44 -54.59 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -35.49 72.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.7 mm-40 -75.12 -27.88 59.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.84 -71.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 121.34 -171.57 15.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -38.83 121.01 1.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.653 ' O ' HD12 ' A' ' 50' ' ' LEU . 18.6 Cg_endo -74.88 155.08 43.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.585 1.834 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -63.81 -57.26 10.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 1.187 . . . . 0.0 109.363 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.699 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -42.13 -52.08 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.01 51.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HA ' HD11 ' A' ' 50' ' ' LEU . 4.2 ppt_? -111.81 11.16 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 67.9 t60 -37.98 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -39.3 -42.94 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.55 121.2 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' CB ' ' A' ' 80' ' ' ALA . 1.9 pt -118.31 -170.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . 3.6 mt -152.63 163.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 12.3 m-85 -135.47 172.55 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.537 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -179.84 165.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.587 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.323 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.576 ' CG2' HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.661 ' N ' HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -56.65 -20.25 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.53 -43.05 98.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -125.27 34.15 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.39 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 70' ' ' SER . . . -84.61 0.39 50.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -37.14 62.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -88.56 -49.58 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.733 HD21 HD13 ' A' ' 42' ' ' LEU . 20.9 mt -43.27 -39.29 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.732 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -69.13 -43.45 74.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -72.51 -11.0 60.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 45' ' ' LEU . 2.0 mt -87.75 -53.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 59' ' ' ILE . . . -77.77 -22.02 50.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -48.26 163.08 0.31 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -12.36 24.06 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.034 -0.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -37.69 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.687 ' C ' HD12 ' A' ' 85' ' ' ILE . 22.3 mm-40 -77.15 134.16 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.687 HD12 ' C ' ' A' ' 84' ' ' GLU . 1.3 mp -114.98 162.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.48 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 89.9 m-85 -154.47 152.58 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.661 HD21 ' N ' ' A' ' 70' ' ' SER . 0.9 OUTLIER -107.13 112.62 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.9 tp -74.93 63.52 1.21 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' ASP . 1.3 tp10 70.39 -165.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' GLU . 10.4 m-20 -39.29 -39.61 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.95 -56.07 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -139.18 14.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -22.18 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.1 -60.41 5.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.925 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 64.9 t-105 -47.64 -45.74 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -69.52 -35.04 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 109.223 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' CB ' ' HG3' ' A' ' 7' ' ' PRO . 7.9 tptt -40.1 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.87 51.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 112.91 45.09 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.925 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -115.72 139.5 24.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.859 ' O ' HG13 ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.94 -89.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.759 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.947 HG12 ' HA ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER 173.09 -174.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.845 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . . . -81.34 51.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.925 ' CG2' HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.535 0.207 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.687 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.9 p 2.17 101.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.931 HD12 ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -108.16 143.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.667 ' O ' HD13 ' A' ' 5' ' ' ILE . 5.7 m -72.03 150.23 92.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 59.38 5.18 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.561 1.821 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -153.0 -45.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.634 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.63 -16.71 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.931 ' HB2' HD12 ' A' ' 5' ' ' ILE . . . -80.8 -37.89 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -52.7 -19.32 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.46 -69.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.705 HD11 HD11 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -41.59 -46.11 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -50.75 -37.79 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -89.58 20.65 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.3 mtt180 -119.47 -36.65 3.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.27 -26.34 0.24 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 58' ' ' GLN . . . -46.37 124.44 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -98.5 123.93 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.912 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -97.43 141.24 30.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.649 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 7.7 mm -109.32 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 20' ' ' LEU . 74.6 m-20 -102.58 76.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.204 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.639 HG21 HD11 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -79.37 54.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.41 -82.88 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.81 -169.13 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -113.05 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -39.4 -38.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -63.34 -54.06 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.519 ' CE2' ' CD2' ' A' ' 33' ' ' HIS . 24.0 t80 -53.46 -20.99 5.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.504 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -52.54 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.632 ' HA ' HG12 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -95.55 -170.85 2.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.733 ' CB ' ' HB3' ' A' ' 103' ' ' ALA . 39.3 m80 -148.35 -114.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.626 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER 174.3 169.48 0.3 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.725 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 68.28 5.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER 90.09 106.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -156.06 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.15 16.75 6.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 40' ' ' ALA . 5.7 tp 61.07 120.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -174.39 84.83 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.562 ' HG2' HG23 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 167.18 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 42' ' ' LEU . 9.5 tp -60.24 -56.52 20.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -25.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.562 HG23 ' HG2' ' A' ' 41' ' ' PRO . 75.1 t -92.04 -40.74 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -60.25 -48.56 81.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -23.34 64.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -26.5 27.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -67.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 120.95 -169.85 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 51' ' ' PRO . 1.7 tm? -59.1 120.59 48.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.673 ' O ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.01 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -78.07 -58.85 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.624 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.86 -49.46 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -96.13 48.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.82 10.86 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.8 t-80 -35.45 143.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 12.3 tt0 -39.15 -30.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' HIS . 7.9 mt-30 -128.63 134.82 48.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.626 HD12 HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -141.86 167.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 13' ' ' LEU . 7.0 mt -136.69 148.99 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 1.168 ' CG ' HD12 ' A' ' 76' ' ' LEU . 19.8 m-85 -118.71 124.2 46.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -124.46 -164.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.657 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 108.292 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.853 ' CB ' HD11 ' A' ' 87' ' ' LEU . 14.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 9.2 p -50.9 -30.17 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.22 -24.57 64.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . 20.2 m-20 -143.62 44.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -71.9 0.75 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 1.6 t0 -84.39 -49.82 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.27 74.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.168 HD12 ' CG ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -47.74 -35.86 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.945 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -61.36 -49.97 74.77 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.58 26.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 77' ' ' ALA . 21.6 mt -120.8 -45.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -117.37 -49.68 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.945 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -41.25 169.22 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.944 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 2.53 14.93 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.978 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -41.3 161.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.207 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 85' ' ' ILE . 64.8 mm-40 -60.41 93.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -109.2 154.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.0 m-85 -156.7 155.45 31.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.853 HD11 ' CB ' ' A' ' 69' ' ' THR . 9.4 tp -107.52 131.52 54.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.486 HD12 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -79.72 54.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 7.2 mm-40 38.56 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' LEU . 17.5 m-20 -87.42 137.52 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' ASP . . . -36.03 -91.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -102.62 -31.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' LYS . 16.1 t70 -56.36 -26.5 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -62.12 -55.09 29.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.418 1.074 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.725 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 48.9 t-105 -55.7 -49.12 73.85 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -67.03 -22.03 65.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -51.38 -40.21 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.4 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.782 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -92.86 20.16 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.55 61.28 4.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.782 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -118.19 134.33 23.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.99 130.7 13.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.433 1.754 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.019 HG23 HG13 ' A' ' 104' ' ' VAL . 20.0 m -78.31 -174.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.733 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -79.59 54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 1.019 HG13 HG23 ' A' ' 102' ' ' VAL . 4.5 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.795 HG21 ' CE2' ' A' ' 86' ' ' PHE . 2.0 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.5 p 18.23 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.522 HD13 HD21 ' A' ' 13' ' ' LEU . 1.4 tt -100.33 149.63 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 159.19 39.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.86 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t60 176.16 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.616 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -24.92 37.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -70.57 -43.73 68.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -20.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.34 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.522 HD21 HD13 ' A' ' 5' ' ' ILE . 1.6 pp -42.41 -44.94 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -51.91 -38.92 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -90.15 15.15 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 3.9 mtt180 -113.86 -30.29 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 151.34 -20.15 0.93 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -40.13 125.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -101.47 107.41 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 HG22 ' A' ' 60' ' ' ILE . 11.9 tp -94.91 151.42 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 20' ' ' LEU . 4.8 mm -121.89 164.17 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -120.11 79.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.78 61.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -91.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -172.85 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -104.32 -52.56 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -39.51 -45.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 30' ' ' LEU . 17.3 mm-40 -45.29 -60.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -42.81 -26.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 tt -61.19 -77.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -71.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HA ' HG12 ' A' ' 104' ' ' VAL . 2.0 mp0 -105.58 -175.49 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 6.3 t-160 -141.43 -113.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.979 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.64 170.54 0.26 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.761 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.93 81.34 2.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER 68.83 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -156.91 -178.46 7.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -150.51 123.42 8.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.426 HD12 ' HD3' ' A' ' 41' ' ' PRO . 6.0 tp -39.13 112.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.677 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -165.77 74.41 1.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HD2' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.07 152.75 40.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -35.63 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.583 HG21 ' HD2' ' A' ' 41' ' ' PRO . 66.0 t -84.61 -51.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.48 -42.5 15.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 mt-30 -79.04 -33.47 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.221 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -131.85 -62.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 106.43 -172.92 19.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.392 1.057 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.013 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -37.94 114.75 0.77 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.493 ' N ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -94.43 -56.04 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.736 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -40.74 -44.52 2.22 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -99.37 45.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' O ' ' O ' ' A' ' 56' ' ' HIS . 3.0 ppt_? -125.25 17.7 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.673 ' O ' ' O ' ' A' ' 55' ' ' ARG . 18.1 t-160 -34.36 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -123.82 -71.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 5.1 mt-30 -106.16 98.35 8.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -86.0 169.94 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.733 HG22 HD13 ' A' ' 20' ' ' LEU . 4.2 mt -139.88 160.7 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -127.21 169.18 13.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.979 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -178.69 166.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.671 ' HB ' HD11 ' A' ' 87' ' ' LEU . 1.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.717 ' N ' HD21 ' A' ' 87' ' ' LEU . 17.5 p -53.45 -20.49 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.0 -30.72 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -157.64 44.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.627 ' O ' ' HB2' ' A' ' 77' ' ' ALA . . . -79.29 -4.58 51.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -53.55 45.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -55.57 9.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.3 -38.23 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.856 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -60.88 -42.2 97.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.12 63.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.672 HG22 ' N ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -63.74 -67.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.672 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -86.85 45.74 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -115.76 163.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 1.84 15.32 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.018 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -36.02 145.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' HD12 ' A' ' 85' ' ' ILE . 24.1 mm-40 -76.21 119.99 20.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 1.3 mp -108.34 166.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.795 ' CE2' HG21 ' A' ' 3' ' ' THR . 17.7 m-85 -145.8 146.76 31.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.717 HD21 ' N ' ' A' ' 70' ' ' SER . 1.5 mp -105.29 96.74 6.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . 13.7 tp -52.63 88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.8 tp10 -34.93 137.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 1.4 m-20 62.27 23.63 14.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . . . 41.47 -113.37 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -82.02 -33.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' ASP . 35.5 t70 -57.08 -23.84 49.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 90' ' ' ASP . . . -76.52 -41.15 25.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.761 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 40.2 t-105 -56.58 -38.22 71.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -81.08 -27.75 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.53 -48.11 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 1.076 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . . . -72.91 -31.79 64.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.496 ' C ' HD13 ' A' ' 100' ' ' LEU . . . 107.36 24.59 6.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.076 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -87.95 123.16 69.45 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 140.86 25.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.072 HG23 HG13 ' A' ' 104' ' ' VAL . 16.7 m -80.3 176.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -79.11 57.11 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 1.072 HG13 HG23 ' A' ' 102' ' ' VAL . 2.6 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.019 HD12 ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -73.81 113.81 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.388 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 4' ' ' THR . 6.6 m -160.6 169.3 23.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.415 1.072 . . . . 0.0 110.479 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.479 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -108.54 158.89 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.387 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -150.2 141.43 16.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -61.54 155.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HG3' ' CA ' ' A' ' 94' ' ' GLY . 18.3 Cg_endo -75.0 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.54 -51.64 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -19.98 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -77.28 -37.22 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -55.32 -17.17 4.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.559 ' CD ' HH21 ' A' ' 16' ' ' ARG . 1.4 tt0 -89.44 -69.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 5' ' ' ILE . 1.6 pp -41.88 -48.18 4.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -50.58 -41.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.361 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -88.73 16.24 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.559 HH21 ' CD ' ' A' ' 12' ' ' GLU . 14.2 mmt180 -117.5 -36.09 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 166.17 -29.05 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.04 115.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -92.67 117.9 30.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 26.6 tp -103.24 137.46 41.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.643 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 12.6 mm -105.97 159.11 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' CE1' ' A' ' 62' ' ' HIS . 1.4 m-20 -108.88 73.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.82 57.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' CZ ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -133.0 -87.81 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.79 -175.73 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . . . -101.86 -46.64 4.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.08 -40.52 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -49.83 -62.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -40.87 -35.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.77 -76.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -72.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.736 ' HA ' HG12 ' A' ' 104' ' ' VAL . 2.6 mt-10 -106.9 178.89 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 103' ' ' ALA . 10.2 t-80 -136.14 -121.16 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.562 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.846 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.71 168.97 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.694 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.94 81.61 2.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.584 1.834 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.3 OUTLIER 71.78 102.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -168.86 150.33 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' HB2' ' CD2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -122.27 141.35 51.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 13.8 tp -45.15 129.23 7.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HA ' HG11 ' A' ' 44' ' ' VAL . . . 177.26 71.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.776 ' O ' HG12 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.01 150.67 38.47 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 HD21 ' A' ' 76' ' ' LEU . 14.6 tp -46.01 -24.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' PRO . 32.9 m -66.65 -31.13 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 41' ' ' PRO . 4.0 p -88.26 -35.65 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.687 HD12 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -54.49 -53.04 59.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -22.96 66.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -22.56 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 22.1 p -140.98 -75.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 126.94 175.01 13.96 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD21 ' CD1' ' A' ' 59' ' ' ILE . 1.4 tm? -39.28 121.03 1.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.211 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.798 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.0 Cg_endo -75.02 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -85.49 -48.42 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -49.7 -33.73 16.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.798 HD12 ' HG2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -114.61 50.06 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 ppt_? -115.77 11.13 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.8 t-80 -35.15 149.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.556 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.16 -36.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -127.77 137.96 52.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.715 ' CD1' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -142.98 168.66 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 61' ' ' PHE . 7.1 mt -136.45 165.46 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 60' ' ' ILE . 6.0 m-85 -129.91 156.39 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.846 ' CE1' HD12 ' A' ' 34' ' ' ILE . 11.5 p80 -155.31 -164.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p -167.57 171.74 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.625 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 pp0? -50.97 -50.53 57.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 167.98 105.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.49 -34.45 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 69.22 37.38 2.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.243 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -95.51 18.57 12.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.519 ' CB ' HD22 ' A' ' 87' ' ' LEU . 66.8 p -71.98 -38.79 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.479 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.598 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -74.15 -22.03 59.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.54 -19.94 60.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 68' ' ' ARG . 2.5 m-80 -126.5 20.1 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 1.019 ' HB1' HD12 ' A' ' 2' ' ' LEU . . . -65.65 -11.32 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -56.52 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -55.32 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 42' ' ' LEU . 39.7 mt -44.51 -33.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -66.48 -54.37 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.24 -8.06 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.687 HG21 HD12 ' A' ' 45' ' ' LEU . 7.4 mt -97.48 -48.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 85' ' ' ILE . . . -95.9 -60.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -40.93 162.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.724 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 0.43 16.51 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.002 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.739 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -42.88 120.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 49.7 mm-40 -37.64 99.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.739 HD13 ' O ' ' A' ' 83' ' ' ALA . 1.2 mp -111.39 161.3 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.535 ' O ' HD23 ' A' ' 87' ' ' LEU . 66.3 m-85 -157.35 -176.89 6.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 86' ' ' PHE . 32.8 mt -134.84 130.44 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.1 tp -71.06 61.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.607 1.192 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 51.09 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' LEU . 12.7 m-20 -110.8 150.04 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 65' ' ' ALA . . . -60.88 102.89 0.44 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER 69.35 -54.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 92' ' ' ILE . 18.9 t70 -38.93 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HG3' ' A' ' 7' ' ' PRO . . . -65.69 -60.96 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.996 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 66.6 t-105 -48.72 -42.74 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 99' ' ' GLY . 8.0 ttpt -73.22 -31.8 64.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.1 tttt -42.38 -64.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.33 -23.52 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 95.82 51.3 1.82 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.996 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 1.4 mt -111.39 127.19 27.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.97 134.46 17.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.014 HG23 HG13 ' A' ' 104' ' ' VAL . 3.1 m -78.34 176.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.61 65.12 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 1.014 HG13 HG23 ' A' ' 102' ' ' VAL . 6.3 m -88.04 70.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -164.64 127.53 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.23 134.07 42.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.96 -58.8 0.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 87' ' ' LEU . 3.5 mp 50.05 88.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.246 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 m -63.25 152.96 36.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.5 p -107.07 127.3 53.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.27 140.84 31.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 172.01 11.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.905 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.1 Cg_endo -75.02 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 7.9 t-80 87.45 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.24 -34.23 28.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -74.11 -29.06 61.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -65.13 -9.13 20.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -99.15 -66.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 10' ' ' ALA . 1.5 pp -41.8 -49.2 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.04 -37.18 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.81 8.58 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 26.2 mmt180 -111.28 -32.59 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 156.18 -23.0 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -36.26 109.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' CD ' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -84.42 120.23 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.688 ' C ' HD13 ' A' ' 21' ' ' ILE . 1.1 tt -104.54 137.12 42.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.714 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 5.9 mm -113.45 148.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD2' ' NE2' ' A' ' 62' ' ' HIS . 1.3 m-20 -104.93 79.5 1.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.064 HD13 HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -82.27 51.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -126.36 -89.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.1 -171.95 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.49 -45.82 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 59.5 m-20 -47.73 -25.45 1.24 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 24' ' ' ARG . 24.7 mm-40 -67.47 -51.47 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.88 -31.2 64.61 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.59 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -53.91 -72.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 22.3 mp0 -108.13 179.85 4.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.73 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 7.2 t-160 -137.66 -113.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.935 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.13 170.33 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.613 1.195 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.703 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.07 85.23 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.566 ' HB2' HG23 ' A' ' 14' ' ' ILE . 0.7 OUTLIER 70.37 97.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.554 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -158.2 -173.39 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.203 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -163.85 133.72 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ASP . 8.2 tp -40.26 124.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.714 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -172.26 74.75 0.46 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.94 140.53 25.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 45' ' ' LEU . 15.1 tp -43.41 -33.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -32.6 15.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -88.47 -44.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD12 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -41.27 -53.05 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -36.6 79.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.92 -28.6 63.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.41 -72.27 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.24 -177.65 16.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -40.47 126.77 1.81 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.774 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.95 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -81.86 -47.92 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -51.46 -32.83 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.774 HD12 ' HG2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -116.08 50.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.777 ' HA ' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -114.5 12.44 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.9 t60 -34.89 146.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.571 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' HIS . 6.3 tt0 -38.73 -30.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' HIS . 1.9 mp0 -133.37 134.31 43.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -133.85 170.51 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.3 mt -136.14 153.3 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.94 149.45 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.935 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -159.17 -167.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -166.55 -166.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 92' ' ' ILE . 35.8 tt0 -38.71 -91.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.787 ' HB2' HG22 ' A' ' 92' ' ' ILE . . . 179.16 108.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 68' ' ' ARG . . . 102.53 -41.67 2.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.108 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -44.86 -26.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER 81.65 143.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.889 ' HB ' HD22 ' A' ' 87' ' ' LEU . 3.7 m -102.46 -5.51 23.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.834 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 27.9 p -83.6 -11.1 57.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -56.89 -18.16 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -141.67 27.7 1.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.834 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -65.08 -15.14 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -69.11 -56.16 8.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 0.0 109.341 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -74.39 -54.6 7.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.064 HD11 HD13 ' A' ' 23' ' ' ILE . 74.1 mt -44.78 -28.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 73' ' ' ALA . . . -75.62 -46.44 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -87.53 16.72 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 45' ' ' LEU . 9.9 mt -112.97 -27.82 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.677 ' HB1' HD11 ' A' ' 85' ' ' ILE . . . -111.56 -41.94 3.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 82' ' ' PRO . . . -37.41 154.02 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -3.39 19.57 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 120.937 -2.526 . . . . 0.0 110.987 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -39.78 144.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 85' ' ' ILE . 12.6 mm-40 -75.7 116.02 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.677 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.1 mp -110.22 163.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' HD23 ' A' ' 87' ' ' LEU . 99.4 m-85 -151.71 177.01 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.889 HD22 ' HB ' ' A' ' 69' ' ' THR . 71.2 mt -130.01 111.99 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' ASP . 16.2 tp -61.27 88.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 1.7 tp10 36.43 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' LEU . 1.5 m-20 -125.0 77.15 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.54 -103.99 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -101.92 -25.29 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -42.51 -28.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -73.83 -61.1 3.41 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.73 ' O ' HD22 ' A' ' 100' ' ' LEU . 43.4 t-105 -47.23 -42.24 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 94' ' ' GLY . 2.5 tptt -43.65 -67.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 1.005 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . . . -58.35 -22.95 55.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.66 24.27 16.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.345 1.028 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.005 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -74.18 133.57 78.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.05 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.452 ' CG1' ' H ' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -80.89 163.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -78.58 91.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 106' ' ' LYS . 5.3 m -98.17 177.37 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -46.7 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' VAL . 9.9 mttt 51.69 97.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.367 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 p -86.71 -7.42 58.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.408 1.068 . . . . 0.0 109.956 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.542 HD21 ' CB ' ' A' ' 77' ' ' ALA . 8.1 mt -97.13 -46.06 6.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 m 64.57 152.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.482 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.644 ' C ' HG22 ' A' ' 5' ' ' ILE . 80.7 p -90.3 -170.47 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.644 HG22 ' C ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -175.71 149.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -72.65 157.27 89.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 94' ' ' GLY . 18.2 Cg_endo -74.92 -8.32 20.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.575 1.829 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.37 -44.82 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.632 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -28.47 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.508 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -71.29 -42.95 68.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.07 -17.42 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.29 -67.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.712 ' CD1' HD11 ' A' ' 60' ' ' ILE . 1.3 pp -43.41 -47.87 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -35.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.99 8.41 15.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 12.2 mtp180 -113.78 -40.29 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.23 -29.05 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -38.89 109.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.849 ' HG3' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -80.85 152.34 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.627 HD21 HD13 ' A' ' 34' ' ' ILE . 14.4 tp -136.67 141.26 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 20' ' ' LEU . 1.5 mm -109.03 160.08 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -113.44 71.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.531 HG21 ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -79.16 61.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -126.08 -78.15 0.59 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.485 ' CB ' ' HG2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -161.9 -172.12 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -94.96 -55.18 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.22 -36.38 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 21.3 mm-40 -54.2 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.947 ' CB ' HD12 ' A' ' 39' ' ' LEU . 75.7 t80 -42.23 -35.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.6 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' O ' HG12 ' A' ' 104' ' ' VAL . 5.1 mtt180 -44.78 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HB3' HG11 ' A' ' 102' ' ' VAL . 2.3 mp0 -107.74 172.56 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.675 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 21.1 t-160 -128.62 -119.51 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.746 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.34 168.64 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.685 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.02 81.41 2.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 74.51 100.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.554 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -169.33 169.8 8.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -139.13 123.69 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.947 HD12 ' CB ' ' A' ' 29' ' ' TYR . 6.6 tt -36.65 131.18 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.596 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . 178.9 78.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.787 ' HD3' HD23 ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.92 153.6 42.32 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.589 HD11 HD21 ' A' ' 76' ' ' LEU . 5.0 tp -41.61 -54.44 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LEU . 38.6 m -38.66 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG21 ' HD2' ' A' ' 41' ' ' PRO . 61.0 t -88.57 -50.94 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -43.95 -45.54 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -33.38 72.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -74.16 -35.28 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' VAL . 16.7 t -131.24 -61.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 103.04 178.95 26.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.952 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -37.63 115.96 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.755 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.02 171.07 19.04 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.44 -1.49 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HE2' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -92.4 -31.82 15.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.849 HD23 ' HG3' ' A' ' 19' ' ' LYS . 1.2 mt -111.02 39.34 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -96.41 9.35 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 52.8 t-80 -38.17 146.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.25 -46.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' CG ' ' HB2' ' A' ' 84' ' ' GLU . 12.4 mt-30 -129.07 126.28 39.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.871 HG13 HG23 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -119.97 -174.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.712 HD11 ' CD1' ' A' ' 13' ' ' LEU . 68.8 mt -146.64 166.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.844 ' HE1' HD11 ' A' ' 59' ' ' ILE . 5.6 m-85 -134.2 154.18 51.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.746 ' CE1' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -163.02 162.1 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.5 p -141.59 -173.33 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.294 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.64 ' O ' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -41.6 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.246 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -166.99 68.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.28 36.96 0.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt 63.66 -98.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 56.23 18.84 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.591 ' HB ' HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -109.64 -81.72 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.761 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -47.51 -37.29 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.44 -24.75 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.25 40.51 1.77 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.761 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -78.18 -6.52 55.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.81 -51.7 15.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -77.89 -55.51 5.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.672 HD22 ' HE2' ' A' ' 61' ' ' PHE . 49.4 mt -44.44 -35.92 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.823 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -71.14 -44.73 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -64.61 -15.08 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.487 HG23 ' H ' ' A' ' 50' ' ' LEU . 1.1 mt -76.27 -56.01 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.065 ' HB3' ' CD1' ' A' ' 85' ' ' ILE . . . -104.98 45.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.823 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -108.99 165.36 12.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.811 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 1.76 15.38 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.051 -0.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -43.65 118.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 58' ' ' GLN . 38.1 mm-40 -52.55 147.97 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.065 ' CD1' ' HB3' ' A' ' 80' ' ' ALA . 3.3 mt -146.3 160.18 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.568 ' O ' HD13 ' A' ' 87' ' ' LEU . 95.2 m-85 -137.45 177.17 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD12 ' HB ' ' A' ' 69' ' ' THR . 1.2 mm? -116.45 97.38 5.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HB2' HG21 ' A' ' 60' ' ' ILE . 4.5 tp -56.71 86.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER 38.54 -158.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.222 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.76 65.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 74.87 -100.4 1.22 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 64' ' ' GLN . 16.7 tt -109.98 -22.16 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 0.713 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -45.4 -26.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.498 ' O ' ' CG ' ' A' ' 7' ' ' PRO . . . -66.87 -46.86 70.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.623 1.202 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.946 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 57.9 t-105 -57.6 -37.24 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -81.57 -29.71 33.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.4 tmtm? -50.49 -44.03 55.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -90.21 18.12 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.82 69.0 1.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.946 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 3.2 mt -125.24 129.43 24.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.66 10.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.561 1.822 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.655 ' CG1' HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -77.02 -172.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -93.89 74.7 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG13 ' CG1' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -95.97 138.43 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -46.99 119.89 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.06 160.65 16.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.6 t 177.36 103.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.949 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.64 HD21 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -39.68 -38.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.361 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 3.4 m 65.45 156.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -107.88 126.66 52.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.659 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -106.6 153.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -88.45 176.71 3.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.01 179.62 5.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 9.4 t-80 81.11 -51.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.581 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.58 -37.67 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -61.54 -50.0 74.44 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.11 -20.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -86.97 -69.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.659 HD21 ' CD1' ' A' ' 5' ' ' ILE . 1.4 pp -42.59 -44.19 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -52.57 -42.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -87.4 13.77 9.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -113.02 -32.81 6.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 158.89 -25.03 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.564 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -38.93 107.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 99.59 11.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.854 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -84.39 138.24 32.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.878 HG22 ' HB3' ' A' ' 40' ' ' ALA . 5.8 mm -110.98 140.5 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' ' NE2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -100.43 96.94 7.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -105.19 56.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.508 HH21 ' H ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.58 -58.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.96 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.22 -45.03 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -43.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' OE1' ' CG ' ' A' ' 64' ' ' GLN . 5.0 mt-10 -57.5 -68.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' H ' HH21 ' A' ' 24' ' ' ARG . 11.7 t80 -41.8 -28.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -47.81 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.854 ' O ' HG23 ' A' ' 104' ' ' VAL . 22.5 mtt180 -71.3 -64.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -91.09 -174.29 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.865 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 23.6 t-160 -152.41 -117.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.641 ' N ' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER 175.84 168.92 0.38 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.74 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.01 74.13 4.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HB2' HG23 ' A' ' 14' ' ' ILE . 0.0 OUTLIER 86.48 101.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.23 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.589 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -154.85 150.27 27.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.505 ' CG ' HD11 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -120.51 9.53 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 44.5 tp 66.15 144.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.878 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . 173.99 79.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.595 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.755 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -38.37 -53.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' LEU . 3.3 m -34.61 -39.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.595 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -86.54 -53.35 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -43.96 -46.03 8.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.12 -34.28 77.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.8 mm100 -75.3 -32.5 61.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.92 -65.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 108.06 -156.92 15.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -38.3 105.25 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.544 ' HG2' HD23 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.99 156.5 43.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -64.91 -59.5 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.726 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -39.4 -48.72 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.74 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -101.6 50.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.61 10.37 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.235 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 55' ' ' ARG . 21.4 t-80 -40.72 161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.621 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.92 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -118.44 143.29 46.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -132.98 168.53 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 13' ' ' LEU . 3.6 mt -139.34 152.76 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' HD11 ' A' ' 59' ' ' ILE . 1.8 m-85 -124.32 170.82 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.642 ' HA ' HG21 ' A' ' 69' ' ' THR . 0.0 OUTLIER 179.98 -172.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 18.1 p -179.39 -178.77 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.512 ' O ' ' CA ' ' A' ' 91' ' ' GLY . 48.7 mt-30 -47.27 175.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.15 57.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.391 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 67' ' ' LYS . . . -120.32 -33.41 1.04 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 4.6 tttp 78.16 60.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -98.95 -29.6 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.75 ' HB ' HD11 ' A' ' 87' ' ' LEU . 74.8 p -47.69 -31.28 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.467 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 78.9 p -83.1 -28.77 29.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.054 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' ARG . 5.7 m-80 -73.2 -17.49 61.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -138.87 34.54 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.64 ' O ' HD21 ' A' ' 2' ' ' LEU . . . -76.39 -2.13 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -91.22 -48.67 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -77.75 -62.05 1.79 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.619 1.2 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.544 HD21 ' CD2' ' A' ' 42' ' ' LEU . 63.9 mt -39.02 -30.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . -66.11 -70.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' ALA . . . -37.65 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -63.46 -55.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.771 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -85.73 -45.51 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -39.75 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.797 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.76 17.59 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.945 0.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.435 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -40.82 159.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' C ' HD12 ' A' ' 85' ' ' ILE . 18.3 mm-40 -80.45 103.81 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.745 HG12 ' HB3' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -104.75 164.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 97.2 m-85 -151.8 167.65 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.75 HD11 ' HB ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -114.55 110.29 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.71 71.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HG2' ' CA ' ' A' ' 94' ' ' GLY . 2.9 tp10 77.91 -150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 67' ' ' LYS . 13.1 p-10 -121.6 71.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 92' ' ' ILE . . . 88.21 78.81 1.28 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 92' ' ' ILE . 3.3 tt 32.18 38.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 0.817 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -100.56 0.54 39.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -95.51 -47.85 2.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.74 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 58.6 t-105 -53.16 -67.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -53.74 -25.98 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -48.75 -46.65 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.923 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -88.72 20.52 3.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 47.33 45.3 21.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.923 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -98.07 133.83 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.59 20.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.641 HG12 ' N ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -80.14 177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.865 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -79.32 66.63 4.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.2 p -104.07 142.16 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 53.56 98.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -56.31 -66.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -63.48 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.232 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.015 HD21 ' HB2' ' A' ' 77' ' ' ALA . 3.2 mm? -42.37 -91.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER 69.54 161.1 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -116.84 136.04 53.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.052 HD11 ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -119.69 147.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -80.92 177.67 2.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.875 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 18.1 Cg_endo -74.96 176.76 9.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.2 t60 70.43 -58.83 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 1.052 ' HB2' HD11 ' A' ' 5' ' ' ILE . . . -68.16 -41.64 81.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -55.54 -17.46 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.77 -67.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 18' ' ' ALA . 1.6 pp -43.48 -47.37 7.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -53.73 -38.5 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.05 7.74 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 26.5 mmt180 -111.62 -41.62 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.83 -31.46 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -41.89 111.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -93.0 129.23 38.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.925 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -102.14 140.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.029 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.7 mm -108.04 143.52 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.922 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -102.95 79.21 1.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.208 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.01 53.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.682 HH21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -121.51 -89.99 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.196 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.37 -165.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.49 -36.45 8.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -55.52 -32.41 62.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HB2' ' NE ' ' A' ' 24' ' ' ARG . 16.1 mm-40 -63.46 -61.28 2.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.682 ' HB2' HH21 ' A' ' 24' ' ' ARG . 71.8 t80 -52.27 -18.98 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -48.66 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 21.1 mtt180 -77.8 -66.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.96 175.62 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.201 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.944 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 3.3 t-80 -146.41 -39.08 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.986 HG13 HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 86.93 169.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.686 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 88.31 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER 72.06 96.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.922 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -144.7 140.3 28.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -112.2 15.09 20.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD12 ' HD3' ' A' ' 41' ' ' PRO . 2.9 tp 56.85 109.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.613 1.195 . . . . 0.0 109.388 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 1.029 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -157.89 80.93 3.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HD2' HG21 ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.85 154.78 43.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.59 HD11 HD21 ' A' ' 76' ' ' LEU . 6.0 tp -43.01 -52.28 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -40.94 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' HD2' ' A' ' 41' ' ' PRO . 83.9 t -89.65 -43.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.5 -42.33 87.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -30.99 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' SER . 16.1 mm-40 -74.54 -36.07 63.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.31 -69.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.44 -171.96 18.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' A' ' 55' ' ' ARG . 5.0 tt -41.73 117.02 1.71 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.646 ' HG2' HD23 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.02 129.06 11.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -40.09 -61.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.35 -55.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.646 HD23 ' HG2' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -92.88 48.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.779 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -114.21 10.75 17.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' GLU . 82.2 t60 -39.2 154.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -36.26 -60.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.385 1.053 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 84' ' ' GLU . 3.6 mt-30 -111.35 138.61 47.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.637 HD11 ' HE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -137.15 168.72 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 8.3 mt -129.9 159.94 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.679 ' HE2' HD22 ' A' ' 76' ' ' LEU . 2.2 m-85 -122.74 165.55 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.865 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -178.37 154.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.426 ' C ' ' N ' ' A' ' 65' ' ' ALA . 37.5 t -143.04 59.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.304 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.736 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER 48.56 20.44 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 159.32 120.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 67' ' ' LYS . . . -79.12 -123.08 0.35 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.514 1.134 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER 30.92 46.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 9.0 ptm180 179.3 -31.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.458 ' HB ' ' CG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -49.79 -32.12 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.44 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.499 ' N ' HD21 ' A' ' 87' ' ' LEU . 3.8 p -72.76 -7.28 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 68' ' ' ARG . 93.8 m-20 -58.25 -42.03 85.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -139.7 31.86 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -66.17 -22.14 66.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 13.2 t70 -53.03 -61.43 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -45.42 89.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 ' HE2' ' A' ' 61' ' ' PHE . 93.1 mt -51.62 -31.95 27.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 1.015 ' HB2' HD21 ' A' ' 2' ' ' LEU . . . -70.8 -47.88 57.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.06 -11.94 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.05 -55.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.751 ' HB1' HD11 ' A' ' 85' ' ' ILE . . . -72.64 -43.01 63.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -37.38 154.39 0.1 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.07 -5.87 22.1 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.957 -2.518 . . . . 0.0 111.039 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.36 149.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 85' ' ' ILE . 3.1 mp0 -85.1 120.14 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.751 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -108.96 165.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.534 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 85.5 m-85 -153.81 139.18 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.499 HD21 ' N ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -88.74 107.12 18.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.529 HD12 HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -50.82 143.43 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -37.55 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.184 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER 168.29 115.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 92' ' ' ILE . . . -42.86 93.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.986 HD12 HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER 83.28 -51.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 109.36 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -56.65 -20.99 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -102.34 -37.91 3.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 1.063 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 36.9 t-105 -60.45 -49.69 76.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER -69.6 -30.42 68.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.02 -65.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.875 ' HB2' ' HB2' ' A' ' 7' ' ' PRO . . . -52.3 -27.45 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 104.47 46.79 1.27 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.063 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 2.5 mt -119.65 120.9 30.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.91 28.32 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.807 HG23 HG13 ' A' ' 104' ' ' VAL . 2.6 m -79.23 176.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.944 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -80.4 63.32 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.807 HG13 HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -78.93 -179.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 106' ' ' LYS . 8.3 t30 -114.78 52.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 5.4 tptt 87.48 132.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 106' ' ' LYS . 57.6 p -38.75 153.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.354 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.714 HD13 HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -38.36 -89.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.69 ' H ' HD12 ' A' ' 2' ' ' LEU . 1.0 OUTLIER 179.38 166.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.19 . . . . 0.0 110.443 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.99 115.48 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.376 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.562 HD13 HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -103.13 156.15 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.28 161.56 30.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.3 Cg_endo -75.08 104.33 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.424 1.749 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.7 t-80 160.07 -47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.02 -26.42 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' HD11 ' A' ' 5' ' ' ILE . . . -64.74 -44.49 89.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.62 -22.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.374 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -83.1 -69.73 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 HD13 ' A' ' 5' ' ' ILE . 2.3 pp -43.54 -46.48 7.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -53.38 -38.41 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.29 10.7 14.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 24.6 mmt180 -111.8 -35.19 5.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 157.35 -24.12 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.515 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -38.43 112.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HD2' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -86.42 110.74 19.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.806 ' O ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -91.45 149.18 21.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.92 HG23 ' HB3' ' A' ' 40' ' ' ALA . 12.3 mm -130.25 144.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -110.96 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 76' ' ' LEU . 1.1 pp -81.07 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NE ' ' HB2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -125.66 -90.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.84 -171.82 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.74 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.79 -33.96 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.411 ' HB2' ' NE ' ' A' ' 24' ' ' ARG . 5.4 mt-10 -64.31 -40.77 96.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.686 ' CG ' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.62 -10.68 28.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -79.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.646 ' O ' HG12 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -50.6 -27.7 7.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' HG21 ' A' ' 102' ' ' VAL . 18.2 mt-10 -152.0 -174.33 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.938 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 73.0 t60 -149.61 -118.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.664 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.02 HG22 ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER 175.38 168.55 0.36 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.712 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.0 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.756 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 77.39 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.02 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -131.47 153.66 49.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.46 9.07 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.686 HD22 ' CG ' ' A' ' 29' ' ' TYR . 1.7 tp 64.96 121.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.92 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -172.4 81.62 0.45 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -74.97 143.11 28.77 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 15.3 tp -46.33 -31.44 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.5 -31.54 35.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -89.99 -47.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.26 -52.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -62.57 -32.21 73.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -141.52 -68.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.67 -177.44 17.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.909 HD12 ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -40.07 136.59 1.29 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.909 ' HD2' HD12 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.01 -175.32 2.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 1.28 30.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.623 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -105.95 -48.17 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.1 39.16 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.748 ' HA ' HD11 ' A' ' 50' ' ' LEU . 1.3 ptt180 -106.5 12.89 29.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 1.196 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLN . 8.0 t-80 -37.54 146.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.547 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.4 tp10 -38.31 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 2.1 mt-30 -131.91 126.63 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -132.48 163.57 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.9 mt -127.5 160.45 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' HD11 ' A' ' 76' ' ' LEU . 24.7 m-85 -133.89 160.73 36.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 1.008 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -168.62 -177.04 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 67' ' ' LYS . 16.2 p -178.85 -157.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' OE1' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -52.66 171.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.67 57.12 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.362 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' O ' ' CD ' ' A' ' 68' ' ' ARG . . . -150.57 37.33 0.9 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 69' ' ' THR . 19.7 mtpt 59.33 -102.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' O ' ' A' ' 66' ' ' GLY . 30.4 mmm-85 66.76 -59.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 110.255 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.777 ' HB ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.74 -44.32 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.46 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.65 94.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . 6.4 m-20 -58.55 -18.73 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 76' ' ' LEU . 3.0 m-20 -127.02 42.65 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -95.71 4.25 53.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.98 -34.92 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -58.01 2.64 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.879 ' HA ' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -63.63 -21.0 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 2' ' ' LEU . . . -74.76 -54.19 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HA ' ' HB3' ' A' ' 81' ' ' ALA . . . -54.47 -20.2 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.879 HD12 ' HA ' ' A' ' 76' ' ' LEU . 2.4 mt -65.5 -49.56 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' A' ' 50' ' ' LEU . . . -86.7 -37.66 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -39.83 160.1 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.639 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -0.65 17.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.998 0.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -42.88 143.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 85' ' ' ILE . 25.8 mm-40 -67.11 120.42 13.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.714 HG22 HD13 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -115.87 157.39 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 27.3 m-85 -152.21 169.47 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.068 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.777 HD22 ' HB ' ' A' ' 69' ' ' THR . 9.8 mt -118.64 127.5 53.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 34' ' ' ILE . 11.8 tp -40.08 -50.2 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' CD ' ' HA3' ' A' ' 94' ' ' GLY . 1.4 pm0 173.77 -36.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 0.4 OUTLIER 159.95 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 64' ' ' GLN . . . 87.91 -103.29 2.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -152.49 25.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 4.7 t0 -86.76 2.68 47.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -95.76 -65.02 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 1.02 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 63.4 t-105 -39.92 -37.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tptt -76.2 -47.05 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -42.43 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -47.96 -25.28 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 93.78 45.29 3.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.02 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 1.5 mt -111.95 126.47 28.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 134.98 18.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.788 HG12 ' HD1' ' A' ' 95' ' ' TRP . 2.2 m -77.95 178.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.97 82.65 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -100.17 72.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -78.25 163.27 25.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 74.72 -65.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.3 t -104.1 149.86 24.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 110.28 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 77' ' ' ALA . 3.7 mm? -51.0 109.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m -129.06 51.63 2.03 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.997 HG22 HD12 ' A' ' 87' ' ' LEU . 26.6 p -20.04 98.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.744 HD13 HD21 ' A' ' 13' ' ' LEU . 3.2 tt -92.73 151.31 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -83.06 178.79 2.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.5 Cg_endo -74.99 179.76 5.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.0 -59.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -39.43 75.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.925 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -61.73 -41.24 97.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 3.1 tt0 -55.15 -19.09 6.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.69 -70.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.744 HD21 HD13 ' A' ' 5' ' ' ILE . 2.0 pp -41.46 -46.44 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -52.93 -38.9 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.63 9.27 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.1 mmt85 -111.25 -30.79 7.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 150.48 -19.62 1.03 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -39.7 106.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -84.54 97.83 9.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.872 HD22 HD12 ' A' ' 88' ' ' LEU . 14.8 tp -86.22 144.82 27.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.8 mm -121.46 152.04 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.516 ' O ' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -103.41 109.62 21.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -112.61 57.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.53 -54.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.3 -171.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -112.46 -48.37 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ALA . 12.3 m-20 -39.1 -43.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.33 -50.2 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ALA . 17.1 t80 -48.77 -32.49 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.21 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -68.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 24.9 mp0 -99.61 -178.71 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.237 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.734 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 19.8 t-160 -148.79 -114.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.78 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.97 168.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.713 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 70.6 5.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.802 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 84.08 105.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -172.73 154.82 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -114.19 179.83 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 26' ' ' ALA . 2.4 tp -89.68 113.76 25.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.819 ' HB1' HD21 ' A' ' 45' ' ' LEU . . . -168.53 78.56 0.79 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.05 158.05 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 12.5 tp -52.72 -19.88 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -68.98 -23.34 64.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.514 ' CG1' ' HD2' ' A' ' 41' ' ' PRO . 1.3 m -106.28 -44.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.819 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -44.44 -44.37 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -32.85 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.3 mm-40 -76.76 -36.81 56.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.25 -61.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 98.2 -155.74 20.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 55' ' ' ARG . 1.3 tm? -42.26 111.04 0.89 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' HD22 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 177.95 7.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.422 1.748 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . . . -83.13 -49.16 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.675 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.84 -51.62 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.761 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.45 40.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.951 ' HA ' HD21 ' A' ' 50' ' ' LEU . 1.9 ptt180 -98.2 4.0 48.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -39.72 155.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.604 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.681 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 2.5 mt-10 -43.17 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.01 128.22 36.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.663 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -134.76 164.32 34.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.368 1.043 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.499 HD11 HD13 ' A' ' 13' ' ' LEU . 8.3 mt -132.7 154.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.725 ' HB3' HD12 ' A' ' 76' ' ' LEU . 22.9 m-85 -129.99 131.12 45.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.78 ' CE1' HD12 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -134.7 164.3 27.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.652 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.602 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 24.5 p -120.81 -142.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.991 ' O ' HG22 ' A' ' 92' ' ' ILE . 0.1 OUTLIER -96.76 -78.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HA ' ' CA ' ' A' ' 91' ' ' GLY . . . -167.39 70.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' LYS . . . -169.07 30.84 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' GLY . 11.3 mttt 38.68 42.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 0.791 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HB2' ' CB ' ' A' ' 63' ' ' CYS . 24.8 mmt180 -61.8 -48.27 81.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.834 ' HB ' HD22 ' A' ' 87' ' ' LEU . 5.7 p -53.39 -33.94 55.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -81.63 -0.21 41.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.63 -16.02 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -156.37 25.81 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 2' ' ' LEU . . . -42.12 -27.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -55.54 -56.75 16.63 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -45.45 91.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -46.88 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 2' ' ' LEU . . . -69.18 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.78 -22.58 2.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 45' ' ' LEU . 2.5 mt -66.62 -56.65 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 85' ' ' ILE . . . -118.12 71.91 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.809 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -127.74 164.68 35.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.809 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.09 1.8 15.77 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.028 0.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -36.92 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 34.0 mm-40 -75.2 118.01 17.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -109.43 149.05 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 12.5 m-85 -143.73 169.99 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.997 HD12 HG22 ' A' ' 4' ' ' THR . 6.9 mt -121.96 128.01 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.925 HD21 ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -83.28 65.42 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 84.24 -38.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER 81.06 90.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.503 ' CA ' ' HA ' ' A' ' 65' ' ' ALA . . . 117.77 29.5 2.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.991 HG22 ' O ' ' A' ' 64' ' ' GLN . 3.3 tt 33.87 37.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.9 OUTLIER -103.24 -0.21 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 89' ' ' GLU . . . -96.26 -53.27 1.49 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 1.065 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 50.7 t-105 -44.08 -48.9 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER -68.73 -37.07 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -43.36 -52.18 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.61 -31.53 72.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 96.5 46.94 2.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.065 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.9 OUTLIER -113.33 134.78 21.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 135.77 19.38 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.849 HG12 ' CD1' ' A' ' 95' ' ' TRP . 3.0 m -78.04 -175.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.734 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -78.85 59.3 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.659 HG13 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -81.54 81.18 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 54.8 t30 73.85 129.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 63.04 105.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.05 156.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.006 HD12 HD13 ' A' ' 87' ' ' LEU . 72.3 mt -136.64 -98.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 4' ' ' THR . 3.4 m -159.16 25.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 0.0 110.443 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.688 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.7 p -3.8 98.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 9' ' ' ASP . 11.6 tt -98.77 166.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -102.23 171.64 5.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.08 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.4 Cg_endo -74.96 161.05 39.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 2.1 t-160 87.15 -44.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.61 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' HB3' HD11 ' A' ' 5' ' ' ILE . 5.5 m-20 -73.01 -39.21 66.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -68.65 -42.89 77.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.9 -20.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -86.36 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.338 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 18' ' ' ALA . 1.4 pp -43.87 -46.44 7.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -53.89 -36.02 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.27 10.01 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 19.8 mmt180 -110.91 -34.81 6.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.01 -22.4 0.69 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.505 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -39.75 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.642 ' HD2' HD12 ' A' ' 54' ' ' LEU . 1.2 mmtt -80.26 117.91 21.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.92 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -98.9 141.08 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.811 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.3 mm -118.25 128.21 75.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.583 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -98.05 100.2 11.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.563 HD13 HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -101.99 47.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' NE ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -111.17 -48.44 3.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' H ' ' CD ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -178.57 -178.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -119.6 -14.56 9.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.05 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' OE1' ' NE ' ' A' ' 24' ' ' ARG . 9.2 pt-20 -47.79 -23.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CD2' HD22 ' A' ' 39' ' ' LEU . 12.7 t80 -74.63 -25.31 59.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.997 HD22 ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -61.69 -48.25 81.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.985 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.45 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 29' ' ' TYR . 0.8 OUTLIER -99.56 -172.72 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.845 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 29.6 m80 -154.14 -118.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.574 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.947 ' HA ' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER 177.95 171.01 0.45 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.383 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.72 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 83.99 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 82.65 88.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -139.66 163.39 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -134.7 13.62 3.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 29' ' ' TYR . 2.9 tp 56.28 111.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.811 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -159.02 86.19 2.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.05 138.52 23.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 76' ' ' LEU . 15.1 tp -43.79 -28.88 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 41' ' ' PRO . 16.7 m -54.59 -33.31 60.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -87.57 -47.1 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -41.44 -54.59 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -35.49 72.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.7 mm-40 -75.12 -27.88 59.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.84 -71.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 121.34 -171.57 15.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -38.83 121.01 1.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.653 ' O ' HD12 ' A' ' 50' ' ' LEU . 18.6 Cg_endo -74.88 155.08 43.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.585 1.834 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -63.81 -57.26 10.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 1.187 . . . . 0.0 109.363 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.699 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -42.13 -52.08 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.01 51.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HA ' HD11 ' A' ' 50' ' ' LEU . 4.2 ppt_? -111.81 11.16 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 67.9 t60 -37.98 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -39.3 -42.94 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.55 121.2 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' CB ' ' A' ' 80' ' ' ALA . 1.9 pt -118.31 -170.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . 3.6 mt -152.63 163.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 12.3 m-85 -135.47 172.55 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.537 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -179.84 165.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.587 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.7 t 174.47 141.75 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.323 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 50.86 -161.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.99 54.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' N ' ' HB3' ' A' ' 90' ' ' ASP . . . -173.17 66.08 0.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt 40.78 51.01 3.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -97.09 8.35 44.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.231 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.576 ' CG2' HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -110.94 -51.77 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.661 ' N ' HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -56.65 -20.25 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.53 -43.05 98.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -125.27 34.15 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.39 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 70' ' ' SER . . . -84.61 0.39 50.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -37.14 62.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -88.56 -49.58 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.733 HD21 HD13 ' A' ' 42' ' ' LEU . 20.9 mt -43.27 -39.29 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.953 ' HB2' HD21 ' A' ' 2' ' ' LEU . . . -69.13 -43.45 74.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -72.51 -11.0 60.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 45' ' ' LEU . 2.0 mt -87.75 -53.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 59' ' ' ILE . . . -77.77 -22.02 50.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -48.26 163.08 0.31 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -12.36 24.06 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.034 -0.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -37.69 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.687 ' C ' HD12 ' A' ' 85' ' ' ILE . 22.3 mm-40 -77.15 134.16 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.746 ' CG2' HD22 ' A' ' 2' ' ' LEU . 1.3 mp -114.98 162.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.48 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 89.9 m-85 -154.47 152.58 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -107.13 112.62 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.9 tp -74.93 63.52 1.21 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' ASP . 1.3 tp10 70.39 -165.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' HB3' ' N ' ' A' ' 66' ' ' GLY . 10.4 m-20 -39.29 -39.61 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.95 -56.07 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -139.18 14.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -22.18 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.1 -60.41 5.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.925 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 64.9 t-105 -47.64 -45.74 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -69.52 -35.04 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 109.223 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' CB ' ' HG3' ' A' ' 7' ' ' PRO . 7.9 tptt -40.1 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.87 51.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 112.91 45.09 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.925 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -115.72 139.5 24.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.859 ' O ' HG13 ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.94 -89.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.759 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.947 HG12 ' HA ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER 173.09 -174.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.845 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . . . -81.34 51.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.925 ' CG2' HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -79.35 118.25 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -42.56 -66.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 120.57 10.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.42 173.89 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.691 HD13 ' HB1' ' A' ' 73' ' ' ALA . 11.3 mp 46.87 -107.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m -164.42 25.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.687 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.9 p 2.17 101.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.931 HD12 ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -108.16 143.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.667 ' O ' HD13 ' A' ' 5' ' ' ILE . 5.7 m -72.03 150.23 92.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 59.38 5.18 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.561 1.821 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -153.0 -45.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.634 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.63 -16.71 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.931 ' HB2' HD12 ' A' ' 5' ' ' ILE . . . -80.8 -37.89 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -52.7 -19.32 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.46 -69.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.705 HD11 HD11 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -41.59 -46.11 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -50.75 -37.79 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -89.58 20.65 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.3 mtt180 -119.47 -36.65 3.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.27 -26.34 0.24 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 58' ' ' GLN . . . -46.37 124.44 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -98.5 123.93 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.912 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -97.43 141.24 30.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.649 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 7.7 mm -109.32 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 20' ' ' LEU . 74.6 m-20 -102.58 76.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.204 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.639 HG21 HD11 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -79.37 54.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.41 -82.88 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.81 -169.13 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -113.05 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -39.4 -38.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -63.34 -54.06 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.519 ' CE2' ' CD2' ' A' ' 33' ' ' HIS . 24.0 t80 -53.46 -20.99 5.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.504 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -52.54 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.632 ' HA ' HG12 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -95.55 -170.85 2.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.733 ' CB ' ' HB3' ' A' ' 103' ' ' ALA . 39.3 m80 -148.35 -114.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.626 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER 174.3 169.48 0.3 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.725 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 68.28 5.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER 90.09 106.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -156.06 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.15 16.75 6.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 40' ' ' ALA . 5.7 tp 61.07 120.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -174.39 84.83 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.562 ' HG2' HG23 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 167.18 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 42' ' ' LEU . 9.5 tp -60.24 -56.52 20.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -25.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.562 HG23 ' HG2' ' A' ' 41' ' ' PRO . 75.1 t -92.04 -40.74 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -60.25 -48.56 81.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -23.34 64.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -26.5 27.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -67.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 120.95 -169.85 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 51' ' ' PRO . 1.7 tm? -59.1 120.59 48.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.673 ' O ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.01 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -78.07 -58.85 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.624 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.86 -49.46 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -96.13 48.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.82 10.86 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.8 t-80 -35.45 143.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 12.3 tt0 -39.15 -30.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' HIS . 7.9 mt-30 -128.63 134.82 48.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.626 HD12 HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -141.86 167.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 13' ' ' LEU . 7.0 mt -136.69 148.99 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 1.168 ' CG ' HD12 ' A' ' 76' ' ' LEU . 19.8 m-85 -118.71 124.2 46.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -124.46 -164.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.657 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 p -172.6 -173.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 108.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -49.57 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . -179.9 56.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -155.06 43.72 0.56 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt 41.17 57.57 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -45.41 16.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.853 ' CB ' HD11 ' A' ' 87' ' ' LEU . 14.1 p -64.07 -54.92 26.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 9.2 p -50.9 -30.17 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.22 -24.57 64.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . 20.2 m-20 -143.62 44.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.691 ' HB1' HD13 ' A' ' 2' ' ' LEU . . . -71.9 0.75 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 1.6 t0 -84.39 -49.82 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.27 74.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.168 HD12 ' CG ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -47.74 -35.86 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.945 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -61.36 -49.97 74.77 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.58 26.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 77' ' ' ALA . 21.6 mt -120.8 -45.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -117.37 -49.68 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.945 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -41.25 169.22 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.944 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 2.53 14.93 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.978 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -41.3 161.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.207 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 85' ' ' ILE . 64.8 mm-40 -60.41 93.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -109.2 154.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.0 m-85 -156.7 155.45 31.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.853 HD11 ' CB ' ' A' ' 69' ' ' THR . 9.4 tp -107.52 131.52 54.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.486 HD12 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -79.72 54.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 7.2 mm-40 38.56 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' LEU . 17.5 m-20 -87.42 137.52 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' ASP . . . -36.03 -91.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -102.62 -31.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' LYS . 16.1 t70 -56.36 -26.5 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -62.12 -55.09 29.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.418 1.074 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.725 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 48.9 t-105 -55.7 -49.12 73.85 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -67.03 -22.03 65.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -51.38 -40.21 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.4 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.782 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -92.86 20.16 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.55 61.28 4.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.782 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -118.19 134.33 23.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.99 130.7 13.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.433 1.754 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.019 HG23 HG13 ' A' ' 104' ' ' VAL . 20.0 m -78.31 -174.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.733 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -79.59 54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 1.019 HG13 HG23 ' A' ' 102' ' ' VAL . 4.5 m -80.34 155.41 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.49 158.97 25.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.8 120.33 3.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 m -107.3 135.72 48.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 110.227 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.75 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 4.5 mm? -54.58 -103.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.795 HG21 ' CE2' ' A' ' 86' ' ' PHE . 2.0 m -137.08 6.49 2.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.5 p 18.23 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.522 HD13 HD21 ' A' ' 13' ' ' LEU . 1.4 tt -100.33 149.63 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 159.19 39.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.86 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t60 176.16 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.616 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -24.92 37.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -70.57 -43.73 68.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -20.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.34 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 HD21 HD13 ' A' ' 5' ' ' ILE . 1.6 pp -42.41 -44.94 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -51.91 -38.92 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -90.15 15.15 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 3.9 mtt180 -113.86 -30.29 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 151.34 -20.15 0.93 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -40.13 125.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -101.47 107.41 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 HG22 ' A' ' 60' ' ' ILE . 11.9 tp -94.91 151.42 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 20' ' ' LEU . 4.8 mm -121.89 164.17 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -120.11 79.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.78 61.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -91.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -172.85 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -104.32 -52.56 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -39.51 -45.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 30' ' ' LEU . 17.3 mm-40 -45.29 -60.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -42.81 -26.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 tt -61.19 -77.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -71.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HA ' HG12 ' A' ' 104' ' ' VAL . 2.0 mp0 -105.58 -175.49 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 6.3 t-160 -141.43 -113.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.979 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.64 170.54 0.26 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.761 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.93 81.34 2.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER 68.83 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -156.91 -178.46 7.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -150.51 123.42 8.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.426 HD12 ' HD3' ' A' ' 41' ' ' PRO . 6.0 tp -39.13 112.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.677 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -165.77 74.41 1.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HD2' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.07 152.75 40.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -35.63 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.583 HG21 ' HD2' ' A' ' 41' ' ' PRO . 66.0 t -84.61 -51.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.48 -42.5 15.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 mt-30 -79.04 -33.47 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.221 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -131.85 -62.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 106.43 -172.92 19.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.392 1.057 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.013 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -37.94 114.75 0.77 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.493 ' N ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -94.43 -56.04 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.736 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -40.74 -44.52 2.22 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -99.37 45.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' O ' ' O ' ' A' ' 56' ' ' HIS . 3.0 ppt_? -125.25 17.7 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.673 ' O ' ' O ' ' A' ' 55' ' ' ARG . 18.1 t-160 -34.36 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -123.82 -71.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 5.1 mt-30 -106.16 98.35 8.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -86.0 169.94 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.733 HG22 HD13 ' A' ' 20' ' ' LEU . 4.2 mt -139.88 160.7 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -127.21 169.18 13.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.979 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -178.69 166.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 64' ' ' GLN . 40.2 t -165.03 -104.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 68' ' ' ARG . 2.0 tp60 -57.26 -169.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 93' ' ' ASP . . . -113.13 50.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.51 -80.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -120.91 -101.68 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 0.748 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER 69.38 -57.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.671 ' HB ' HD11 ' A' ' 87' ' ' LEU . 1.9 p -61.11 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.609 1.193 . . . . 0.0 110.427 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.717 ' N ' HD21 ' A' ' 87' ' ' LEU . 17.5 p -53.45 -20.49 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.0 -30.72 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -157.64 44.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.75 ' HB1' ' CD2' ' A' ' 2' ' ' LEU . . . -79.29 -4.58 51.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -53.55 45.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -55.57 9.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.3 -38.23 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.856 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -60.88 -42.2 97.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.12 63.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.672 HG22 ' N ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -63.74 -67.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.672 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -86.85 45.74 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -115.76 163.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 1.84 15.32 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.018 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -36.02 145.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' HD12 ' A' ' 85' ' ' ILE . 24.1 mm-40 -76.21 119.99 20.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.7 ' HB ' HD12 ' A' ' 2' ' ' LEU . 1.3 mp -108.34 166.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.795 ' CE2' HG21 ' A' ' 3' ' ' THR . 17.7 m-85 -145.8 146.76 31.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.717 HD21 ' N ' ' A' ' 70' ' ' SER . 1.5 mp -105.29 96.74 6.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . 13.7 tp -52.63 88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.8 tp10 -34.93 137.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 1.4 m-20 62.27 23.63 14.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . . . 41.47 -113.37 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -82.02 -33.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 35.5 t70 -57.08 -23.84 49.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 90' ' ' ASP . . . -76.52 -41.15 25.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.761 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 40.2 t-105 -56.58 -38.22 71.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -81.08 -27.75 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.53 -48.11 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 1.076 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . . . -72.91 -31.79 64.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.496 ' C ' HD13 ' A' ' 100' ' ' LEU . . . 107.36 24.59 6.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.076 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -87.95 123.16 69.45 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 140.86 25.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.072 HG23 HG13 ' A' ' 104' ' ' VAL . 16.7 m -80.3 176.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -79.11 57.11 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 1.072 HG13 HG23 ' A' ' 102' ' ' VAL . 2.6 m -80.24 85.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -52.59 -63.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -175.23 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.2 m 56.76 81.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.974 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 4' ' ' THR . 6.6 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.479 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -108.54 158.89 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.387 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -150.2 141.43 16.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -61.54 155.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HG3' ' CA ' ' A' ' 94' ' ' GLY . 18.3 Cg_endo -75.0 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.54 -51.64 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -19.98 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -77.28 -37.22 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -55.32 -17.17 4.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.559 ' CD ' HH21 ' A' ' 16' ' ' ARG . 1.4 tt0 -89.44 -69.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 5' ' ' ILE . 1.6 pp -41.88 -48.18 4.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -50.58 -41.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.361 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -88.73 16.24 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.559 HH21 ' CD ' ' A' ' 12' ' ' GLU . 14.2 mmt180 -117.5 -36.09 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 166.17 -29.05 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.04 115.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -92.67 117.9 30.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 26.6 tp -103.24 137.46 41.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.643 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 12.6 mm -105.97 159.11 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' CE1' ' A' ' 62' ' ' HIS . 1.4 m-20 -108.88 73.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.82 57.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' CZ ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -133.0 -87.81 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.79 -175.73 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . . . -101.86 -46.64 4.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.08 -40.52 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -49.83 -62.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -40.87 -35.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.77 -76.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -72.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.736 ' HA ' HG12 ' A' ' 104' ' ' VAL . 2.6 mt-10 -106.9 178.89 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 103' ' ' ALA . 10.2 t-80 -136.14 -121.16 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.562 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.846 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.71 168.97 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.694 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.94 81.61 2.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.584 1.834 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.3 OUTLIER 71.78 102.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -168.86 150.33 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' HB2' ' CD2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -122.27 141.35 51.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 13.8 tp -45.15 129.23 7.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HA ' HG11 ' A' ' 44' ' ' VAL . . . 177.26 71.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.776 ' O ' HG12 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.01 150.67 38.47 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 HD21 ' A' ' 76' ' ' LEU . 14.6 tp -46.01 -24.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' PRO . 32.9 m -66.65 -31.13 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 41' ' ' PRO . 4.0 p -88.26 -35.65 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.687 HD12 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -54.49 -53.04 59.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -22.96 66.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -22.56 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 22.1 p -140.98 -75.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 126.94 175.01 13.96 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD21 ' CD1' ' A' ' 59' ' ' ILE . 1.4 tm? -39.28 121.03 1.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.211 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.798 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.0 Cg_endo -75.02 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -85.49 -48.42 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -49.7 -33.73 16.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.798 HD12 ' HG2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -114.61 50.06 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 ppt_? -115.77 11.13 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.8 t-80 -35.15 149.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.556 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.16 -36.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -127.77 137.96 52.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.715 ' CD1' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -142.98 168.66 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 61' ' ' PHE . 7.1 mt -136.45 165.46 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 60' ' ' ILE . 6.0 m-85 -129.91 156.39 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.846 ' CE1' HD12 ' A' ' 34' ' ' ILE . 11.5 p80 -155.31 -164.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.519 ' CB ' HD22 ' A' ' 87' ' ' LEU . 66.8 p . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.548 0.214 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.598 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -74.15 -22.03 59.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.54 -19.94 60.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.5 20.1 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.644 ' O ' ' HB2' ' A' ' 77' ' ' ALA . . . -65.65 -11.32 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -56.52 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -55.32 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 42' ' ' LEU . 39.7 mt -44.51 -33.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -66.48 -54.37 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.24 -8.06 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.687 HG21 HD12 ' A' ' 45' ' ' LEU . 7.4 mt -97.48 -48.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 85' ' ' ILE . . . -95.9 -60.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -40.93 162.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.724 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 0.43 16.51 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.002 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.739 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -42.88 120.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 49.7 mm-40 -37.64 99.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.739 HD13 ' O ' ' A' ' 83' ' ' ALA . 1.2 mp -111.39 161.3 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.535 ' O ' HD23 ' A' ' 87' ' ' LEU . 66.3 m-85 -157.35 -176.89 6.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 86' ' ' PHE . 32.8 mt -134.84 130.44 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.1 tp -71.06 61.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.607 1.192 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 51.09 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' LEU . 12.7 m-20 -110.8 150.04 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -60.88 102.89 0.44 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER 69.35 -54.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 92' ' ' ILE . 18.9 t70 -38.93 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HG3' ' A' ' 7' ' ' PRO . . . -65.69 -60.96 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.996 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 66.6 t-105 -48.72 -42.74 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 99' ' ' GLY . 8.0 ttpt -73.22 -31.8 64.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.1 tttt -42.38 -64.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.33 -23.52 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 95.82 51.3 1.82 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.996 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 1.4 mt -111.39 127.19 27.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.97 134.46 17.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.014 HG23 HG13 ' A' ' 104' ' ' VAL . 3.1 m -78.34 176.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.61 65.12 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 1.014 HG13 HG23 ' A' ' 102' ' ' VAL . 6.3 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.5 p -107.07 127.3 53.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.27 140.84 31.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 172.01 11.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.905 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.1 Cg_endo -75.02 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 7.9 t-80 87.45 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.24 -34.23 28.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -74.11 -29.06 61.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -65.13 -9.13 20.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -99.15 -66.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 10' ' ' ALA . 1.5 pp -41.8 -49.2 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.04 -37.18 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.81 8.58 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 26.2 mmt180 -111.28 -32.59 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 156.18 -23.0 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -36.26 109.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' CD ' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -84.42 120.23 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.688 ' C ' HD13 ' A' ' 21' ' ' ILE . 1.1 tt -104.54 137.12 42.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.714 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 5.9 mm -113.45 148.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD2' ' NE2' ' A' ' 62' ' ' HIS . 1.3 m-20 -104.93 79.5 1.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.064 HD13 HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -82.27 51.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -126.36 -89.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.1 -171.95 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.49 -45.82 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 59.5 m-20 -47.73 -25.45 1.24 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 24' ' ' ARG . 24.7 mm-40 -67.47 -51.47 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.88 -31.2 64.61 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.59 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -53.91 -72.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 22.3 mp0 -108.13 179.85 4.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.73 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 7.2 t-160 -137.66 -113.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.935 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.13 170.33 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.613 1.195 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.703 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.07 85.23 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.566 ' HB2' HG23 ' A' ' 14' ' ' ILE . 0.7 OUTLIER 70.37 97.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.554 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -158.2 -173.39 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.203 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -163.85 133.72 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ASP . 8.2 tp -40.26 124.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.714 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -172.26 74.75 0.46 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.94 140.53 25.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 45' ' ' LEU . 15.1 tp -43.41 -33.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -32.6 15.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.535 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -88.47 -44.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD12 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -41.27 -53.05 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -36.6 79.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.92 -28.6 63.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.41 -72.27 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.24 -177.65 16.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -40.47 126.77 1.81 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.774 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.95 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -81.86 -47.92 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -51.46 -32.83 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.774 HD12 ' HG2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -116.08 50.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.777 ' HA ' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -114.5 12.44 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.9 t60 -34.89 146.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.571 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' HIS . 6.3 tt0 -38.73 -30.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' HIS . 1.9 mp0 -133.37 134.31 43.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -133.85 170.51 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.3 mt -136.14 153.3 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.94 149.45 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.935 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -159.17 -167.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.889 ' HB ' HD22 ' A' ' 87' ' ' LEU . 3.7 m . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.568 0.223 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.834 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 27.9 p -83.6 -11.1 57.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.89 -18.16 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -141.67 27.7 1.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.834 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -65.08 -15.14 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -69.11 -56.16 8.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 0.0 109.341 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -74.39 -54.6 7.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.064 HD11 HD13 ' A' ' 23' ' ' ILE . 74.1 mt -44.78 -28.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 73' ' ' ALA . . . -75.62 -46.44 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -87.53 16.72 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 45' ' ' LEU . 9.9 mt -112.97 -27.82 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.677 ' HB1' HD11 ' A' ' 85' ' ' ILE . . . -111.56 -41.94 3.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 82' ' ' PRO . . . -37.41 154.02 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -3.39 19.57 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 120.937 -2.526 . . . . 0.0 110.987 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -39.78 144.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 85' ' ' ILE . 12.6 mm-40 -75.7 116.02 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.677 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.1 mp -110.22 163.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' HD23 ' A' ' 87' ' ' LEU . 99.4 m-85 -151.71 177.01 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.889 HD22 ' HB ' ' A' ' 69' ' ' THR . 71.2 mt -130.01 111.99 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' ASP . 16.2 tp -61.27 88.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 1.7 tp10 36.43 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' LEU . 1.5 m-20 -125.0 77.15 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.54 -103.99 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -101.92 -25.29 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -42.51 -28.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -73.83 -61.1 3.41 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.73 ' O ' HD22 ' A' ' 100' ' ' LEU . 43.4 t-105 -47.23 -42.24 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 94' ' ' GLY . 2.5 tptt -43.65 -67.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 1.005 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . . . -58.35 -22.95 55.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.66 24.27 16.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.345 1.028 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.005 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -74.18 133.57 78.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.05 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.452 ' CG1' ' H ' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -80.89 163.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -78.58 91.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 32' ' ' GLU . 5.3 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.644 ' C ' HG22 ' A' ' 5' ' ' ILE . 80.7 p -90.3 -170.47 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.644 HG22 ' C ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -175.71 149.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -72.65 157.27 89.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 94' ' ' GLY . 18.2 Cg_endo -74.92 -8.32 20.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.575 1.829 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.37 -44.82 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.632 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -28.47 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.508 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -71.29 -42.95 68.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.07 -17.42 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.29 -67.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.712 ' CD1' HD11 ' A' ' 60' ' ' ILE . 1.3 pp -43.41 -47.87 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -35.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.99 8.41 15.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 12.2 mtp180 -113.78 -40.29 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.23 -29.05 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -38.89 109.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.849 ' HG3' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -80.85 152.34 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.627 HD21 HD13 ' A' ' 34' ' ' ILE . 14.4 tp -136.67 141.26 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 20' ' ' LEU . 1.5 mm -109.03 160.08 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -113.44 71.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.531 HG21 ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -79.16 61.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -126.08 -78.15 0.59 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.485 ' CB ' ' HG2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -161.9 -172.12 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -94.96 -55.18 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.22 -36.38 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 21.3 mm-40 -54.2 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.947 ' CB ' HD12 ' A' ' 39' ' ' LEU . 75.7 t80 -42.23 -35.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.6 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.412 ' O ' HG12 ' A' ' 104' ' ' VAL . 5.1 mtt180 -44.78 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HB3' HG11 ' A' ' 102' ' ' VAL . 2.3 mp0 -107.74 172.56 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.675 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 1.3 t60 -128.62 -119.51 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.746 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.34 168.64 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.685 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.02 81.41 2.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 74.51 100.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.554 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -169.33 169.8 8.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -139.13 123.69 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.947 HD12 ' CB ' ' A' ' 29' ' ' TYR . 6.6 tt -36.65 131.18 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.596 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . 178.9 78.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.787 ' HD3' HD23 ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.92 153.6 42.32 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.589 HD11 HD21 ' A' ' 76' ' ' LEU . 5.0 tp -41.61 -54.44 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LEU . 38.6 m -38.66 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG21 ' HD2' ' A' ' 41' ' ' PRO . 61.0 t -88.57 -50.94 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -43.95 -45.54 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -33.38 72.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -74.16 -35.28 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' VAL . 16.7 t -131.24 -61.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 103.04 178.95 26.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.952 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -37.63 115.96 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.755 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.02 171.07 19.04 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.44 -1.49 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HE2' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -92.4 -31.82 15.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.849 HD23 ' HG3' ' A' ' 19' ' ' LYS . 1.2 mt -111.02 39.34 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -96.41 9.35 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 52.8 t-80 -38.17 146.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.25 -46.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' CG ' ' HB2' ' A' ' 84' ' ' GLU . 12.4 mt-30 -129.07 126.28 39.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.871 HG13 HG23 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -119.97 -174.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.712 HD11 ' CD1' ' A' ' 13' ' ' LEU . 68.8 mt -146.64 166.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.844 ' HE1' HD11 ' A' ' 59' ' ' ILE . 5.6 m-85 -134.2 154.18 51.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.746 ' CE1' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -163.02 162.1 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.294 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.591 ' HB ' HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.761 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -47.51 -37.29 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 72' ' ' ASN . 2.2 m-80 -51.44 -24.75 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 71' ' ' ASN . 0.3 OUTLIER -141.25 40.51 1.77 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.761 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -78.18 -6.52 55.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.81 -51.7 15.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -77.89 -55.51 5.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.672 HD22 ' HE2' ' A' ' 61' ' ' PHE . 49.4 mt -44.44 -35.92 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.823 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -71.14 -44.73 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -64.61 -15.08 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.487 HG23 ' H ' ' A' ' 50' ' ' LEU . 1.1 mt -76.27 -56.01 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.065 ' HB3' ' CD1' ' A' ' 85' ' ' ILE . . . -104.98 45.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.823 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -108.99 165.36 12.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.811 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 1.76 15.38 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.051 -0.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -43.65 118.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 58' ' ' GLN . 38.1 mm-40 -52.55 147.97 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.065 ' CD1' ' HB3' ' A' ' 80' ' ' ALA . 3.3 mt -146.3 160.18 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.568 ' O ' HD13 ' A' ' 87' ' ' LEU . 95.2 m-85 -137.45 177.17 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD12 ' HB ' ' A' ' 69' ' ' THR . 1.2 mm? -116.45 97.38 5.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HB2' HG21 ' A' ' 60' ' ' ILE . 4.5 tp -56.71 86.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER 38.54 -158.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.222 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.76 65.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 74.87 -100.4 1.22 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.605 HD12 HG13 ' A' ' 34' ' ' ILE . 16.7 tt -109.98 -22.16 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 0.713 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -45.4 -26.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.498 ' O ' ' CG ' ' A' ' 7' ' ' PRO . . . -66.87 -46.86 70.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.623 1.202 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.946 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 57.9 t-105 -57.6 -37.24 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -81.57 -29.71 33.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.4 tmtm? -50.49 -44.03 55.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -90.21 18.12 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.82 69.0 1.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.946 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 3.2 mt -125.24 129.43 24.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.66 10.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.561 1.822 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.655 ' CG1' HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -77.02 -172.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -93.89 74.7 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG13 ' CG1' ' A' ' 102' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -107.88 126.66 52.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.659 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -106.6 153.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -88.45 176.71 3.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.01 179.62 5.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 9.4 t-80 81.11 -51.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.581 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.58 -37.67 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -61.54 -50.0 74.44 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.11 -20.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -86.97 -69.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.659 HD21 ' CD1' ' A' ' 5' ' ' ILE . 1.4 pp -42.59 -44.19 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -52.57 -42.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -87.4 13.77 9.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -113.02 -32.81 6.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 158.89 -25.03 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.564 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -38.93 107.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 99.59 11.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.854 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -84.39 138.24 32.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.878 HG22 ' HB3' ' A' ' 40' ' ' ALA . 5.8 mm -110.98 140.5 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' ' NE2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -100.43 96.94 7.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -105.19 56.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.508 HH21 ' H ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.58 -58.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.96 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.22 -45.03 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -43.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 5.0 mt-10 -57.5 -68.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' H ' HH21 ' A' ' 24' ' ' ARG . 11.7 t80 -41.8 -28.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -47.81 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.854 ' O ' HG23 ' A' ' 104' ' ' VAL . 22.5 mtt180 -71.3 -64.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -91.09 -174.29 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.865 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 23.6 t-160 -152.41 -117.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.641 ' N ' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER 175.84 168.92 0.38 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.74 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.01 74.13 4.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HB2' HG23 ' A' ' 14' ' ' ILE . 0.0 OUTLIER 86.48 101.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.23 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.589 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -154.85 150.27 27.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.505 ' CG ' HD11 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -120.51 9.53 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 44.5 tp 66.15 144.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.878 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . 173.99 79.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.595 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.755 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -38.37 -53.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' LEU . 3.3 m -34.61 -39.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.595 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -86.54 -53.35 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -43.96 -46.03 8.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.12 -34.28 77.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.8 mm100 -75.3 -32.5 61.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.92 -65.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 108.06 -156.92 15.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -38.3 105.25 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.544 ' HG2' HD23 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.99 156.5 43.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -64.91 -59.5 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.726 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -39.4 -48.72 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.74 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -101.6 50.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.61 10.37 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.235 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 55' ' ' ARG . 21.4 t-80 -40.72 161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.621 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.92 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -118.44 143.29 46.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -132.98 168.53 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 13' ' ' LEU . 3.6 mt -139.34 152.76 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' HD11 ' A' ' 59' ' ' ILE . 1.8 m-85 -124.32 170.82 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.642 ' HA ' HG21 ' A' ' 69' ' ' THR . 0.0 OUTLIER 179.98 -172.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 18.1 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.75 ' HB ' HD11 ' A' ' 87' ' ' LEU . 74.8 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.467 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 78.9 p -83.1 -28.77 29.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.054 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -73.2 -17.49 61.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -138.87 34.54 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 69' ' ' THR . . . -76.39 -2.13 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -91.22 -48.67 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -77.75 -62.05 1.79 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.619 1.2 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.544 HD21 ' CD2' ' A' ' 42' ' ' LEU . 63.9 mt -39.02 -30.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . -66.11 -70.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' ALA . . . -37.65 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -63.46 -55.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.771 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -85.73 -45.51 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -39.75 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.797 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.76 17.59 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.945 0.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.435 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -40.82 159.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.492 ' C ' HD12 ' A' ' 85' ' ' ILE . 18.3 mm-40 -80.45 103.81 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.745 HG12 ' HB3' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -104.75 164.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 97.2 m-85 -151.8 167.65 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.75 HD11 ' HB ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -114.55 110.29 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.71 71.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HG2' ' CA ' ' A' ' 94' ' ' GLY . 2.9 tp10 77.91 -150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -121.6 71.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 92' ' ' ILE . . . 88.21 78.81 1.28 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 92' ' ' ILE . 3.3 tt 32.18 38.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 0.817 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -100.56 0.54 39.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -95.51 -47.85 2.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.74 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 58.6 t-105 -53.16 -67.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -53.74 -25.98 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -48.75 -46.65 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.923 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -88.72 20.52 3.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 47.33 45.3 21.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.923 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -98.07 133.83 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.59 20.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.641 HG12 ' N ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -80.14 177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.865 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -79.32 66.63 4.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.2 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -116.84 136.04 53.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 1.052 HD11 ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -119.69 147.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -80.92 177.67 2.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.875 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 18.1 Cg_endo -74.96 176.76 9.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.2 t60 70.43 -58.83 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 1.052 ' HB2' HD11 ' A' ' 5' ' ' ILE . . . -68.16 -41.64 81.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -55.54 -17.46 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.77 -67.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 18' ' ' ALA . 1.6 pp -43.48 -47.37 7.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -53.73 -38.5 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.05 7.74 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 26.5 mmt180 -111.62 -41.62 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.83 -31.46 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -41.89 111.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -93.0 129.23 38.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.925 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -102.14 140.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.029 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.7 mm -108.04 143.52 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.922 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -102.95 79.21 1.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.208 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.01 53.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.682 HH21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -121.51 -89.99 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.196 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.37 -165.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.49 -36.45 8.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -55.52 -32.41 62.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HB2' ' NE ' ' A' ' 24' ' ' ARG . 16.1 mm-40 -63.46 -61.28 2.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.682 ' HB2' HH21 ' A' ' 24' ' ' ARG . 71.8 t80 -52.27 -18.98 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -48.66 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 21.1 mtt180 -77.8 -66.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.96 175.62 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.201 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.944 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 16.9 t60 -146.41 -39.08 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.986 HG13 HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 86.93 169.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.686 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 88.31 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER 72.06 96.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.922 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -144.7 140.3 28.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -112.2 15.09 20.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD12 ' HD3' ' A' ' 41' ' ' PRO . 2.9 tp 56.85 109.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.613 1.195 . . . . 0.0 109.388 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 1.029 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -157.89 80.93 3.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HD2' HG21 ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.85 154.78 43.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.59 HD11 HD21 ' A' ' 76' ' ' LEU . 6.0 tp -43.01 -52.28 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -40.94 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' HD2' ' A' ' 41' ' ' PRO . 83.9 t -89.65 -43.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.5 -42.33 87.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -30.99 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' SER . 16.1 mm-40 -74.54 -36.07 63.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.31 -69.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.44 -171.96 18.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' A' ' 55' ' ' ARG . 5.0 tt -41.73 117.02 1.71 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.646 ' HG2' HD23 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.02 129.06 11.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -40.09 -61.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.35 -55.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.646 HD23 ' HG2' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -92.88 48.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.779 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -114.21 10.75 17.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' GLU . 82.2 t60 -39.2 154.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -36.26 -60.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.385 1.053 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 84' ' ' GLU . 3.6 mt-30 -111.35 138.61 47.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.637 HD11 ' HE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -137.15 168.72 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 8.3 mt -129.9 159.94 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.679 ' HE2' HD22 ' A' ' 76' ' ' LEU . 2.2 m-85 -122.74 165.55 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.865 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -178.37 154.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.304 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.458 ' HB ' ' CG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.499 ' N ' HD21 ' A' ' 87' ' ' LEU . 3.8 p -72.76 -7.28 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -58.25 -42.03 85.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -139.7 31.86 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -66.17 -22.14 66.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 13.2 t70 -53.03 -61.43 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -45.42 89.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 ' HE2' ' A' ' 61' ' ' PHE . 93.1 mt -51.62 -31.95 27.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 81' ' ' ALA . . . -70.8 -47.88 57.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.06 -11.94 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.05 -55.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.751 ' HB1' HD11 ' A' ' 85' ' ' ILE . . . -72.64 -43.01 63.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -37.38 154.39 0.1 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.07 -5.87 22.1 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.957 -2.518 . . . . 0.0 111.039 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.36 149.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 85' ' ' ILE . 3.1 mp0 -85.1 120.14 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.751 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -108.96 165.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.534 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 85.5 m-85 -153.81 139.18 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.499 HD21 ' N ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -88.74 107.12 18.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.529 HD12 HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -50.82 143.43 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -37.55 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.184 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER 168.29 115.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 92' ' ' ILE . . . -42.86 93.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.986 HD12 HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER 83.28 -51.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 109.36 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -56.65 -20.99 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -102.34 -37.91 3.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 1.063 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 36.9 t-105 -60.45 -49.69 76.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER -69.6 -30.42 68.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.02 -65.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.875 ' HB2' ' HB2' ' A' ' 7' ' ' PRO . . . -52.3 -27.45 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 104.47 46.79 1.27 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.063 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 2.5 mt -119.65 120.9 30.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.91 28.32 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.807 HG23 HG13 ' A' ' 104' ' ' VAL . 2.6 m -79.23 176.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.944 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -80.4 63.32 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.807 HG13 HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 4' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.99 115.48 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.376 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.562 HD13 HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -103.13 156.15 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.28 161.56 30.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.3 Cg_endo -75.08 104.33 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.424 1.749 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.7 t-80 160.07 -47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.02 -26.42 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' HD11 ' A' ' 5' ' ' ILE . . . -64.74 -44.49 89.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.62 -22.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.374 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -83.1 -69.73 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 HD13 ' A' ' 5' ' ' ILE . 2.3 pp -43.54 -46.48 7.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -53.38 -38.41 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.29 10.7 14.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 24.6 mmt180 -111.8 -35.19 5.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 157.35 -24.12 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.515 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -38.43 112.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HD2' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -86.42 110.74 19.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.806 ' O ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -91.45 149.18 21.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.92 HG23 ' HB3' ' A' ' 40' ' ' ALA . 12.3 mm -130.25 144.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.525 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -110.96 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 76' ' ' LEU . 1.1 pp -81.07 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NE ' ' HB2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -125.66 -90.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.84 -171.82 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.74 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.79 -33.96 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.411 ' HB2' ' NE ' ' A' ' 24' ' ' ARG . 5.4 mt-10 -64.31 -40.77 96.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.686 ' CG ' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.62 -10.68 28.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -79.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.646 ' O ' HG12 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -50.6 -27.7 7.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' HG21 ' A' ' 102' ' ' VAL . 18.2 mt-10 -152.0 -174.33 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.938 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 73.0 t60 -149.61 -118.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.664 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.023 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.38 168.55 0.36 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.712 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.0 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.756 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 77.39 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.02 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -131.47 153.66 49.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.46 9.07 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.686 HD22 ' CG ' ' A' ' 29' ' ' TYR . 1.7 tp 64.96 121.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.92 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -172.4 81.62 0.45 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -74.97 143.11 28.77 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 15.3 tp -46.33 -31.44 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.5 -31.54 35.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -89.99 -47.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.26 -52.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -62.57 -32.21 73.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -141.52 -68.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.67 -177.44 17.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.909 HD12 ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -40.07 136.59 1.29 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.909 ' HD2' HD12 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.01 -175.32 2.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 1.28 30.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.623 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -105.95 -48.17 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.1 39.16 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.748 ' HA ' HD11 ' A' ' 50' ' ' LEU . 1.3 ptt180 -106.5 12.89 29.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 1.196 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLN . 8.0 t-80 -37.54 146.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.547 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.4 tp10 -38.31 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 2.1 mt-30 -131.91 126.63 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -132.48 163.57 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.9 mt -127.5 160.45 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' HD11 ' A' ' 76' ' ' LEU . 24.7 m-85 -133.89 160.73 36.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 1.023 ' CE1' HD12 ' A' ' 34' ' ' ILE . 2.1 p-80 -168.62 -177.04 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 62' ' ' HIS . 16.2 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.777 ' HB ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.546 0.212 . . . . 0.0 110.46 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.65 94.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -58.55 -18.73 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 76' ' ' LEU . 1.7 m120 -127.02 42.65 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -95.71 4.25 53.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.98 -34.92 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -58.01 2.64 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.879 ' HA ' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -63.63 -21.0 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 73' ' ' ALA . . . -74.76 -54.19 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HA ' ' HB3' ' A' ' 81' ' ' ALA . . . -54.47 -20.2 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.879 HD12 ' HA ' ' A' ' 76' ' ' LEU . 2.4 mt -65.5 -49.56 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' A' ' 50' ' ' LEU . . . -86.7 -37.66 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -39.83 160.1 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.639 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -0.65 17.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.998 0.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -42.88 143.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 85' ' ' ILE . 25.8 mm-40 -67.11 120.42 13.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -115.87 157.39 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 27.3 m-85 -152.21 169.47 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.068 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.777 HD22 ' HB ' ' A' ' 69' ' ' THR . 9.8 mt -118.64 127.5 53.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 34' ' ' ILE . 11.8 tp -40.08 -50.2 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' CD ' ' HA3' ' A' ' 94' ' ' GLY . 1.4 pm0 173.77 -36.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 0.4 OUTLIER 159.95 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.91 -103.29 2.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -152.49 25.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 4.7 t0 -86.76 2.68 47.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -95.76 -65.02 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 1.02 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 63.4 t-105 -39.92 -37.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tptt -76.2 -47.05 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -42.43 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -47.96 -25.28 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 93.78 45.29 3.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.02 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 1.5 mt -111.95 126.47 28.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 134.98 18.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.788 HG12 ' HD1' ' A' ' 95' ' ' TRP . 2.2 m -77.95 178.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.97 82.65 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.997 HG22 HD12 ' A' ' 87' ' ' LEU . 26.6 p -20.04 98.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.744 HD13 HD21 ' A' ' 13' ' ' LEU . 3.2 tt -92.73 151.31 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -83.06 178.79 2.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.5 Cg_endo -74.99 179.76 5.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.0 -59.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -39.43 75.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.925 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -61.73 -41.24 97.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 3.1 tt0 -55.15 -19.09 6.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.69 -70.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.744 HD21 HD13 ' A' ' 5' ' ' ILE . 2.0 pp -41.46 -46.44 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -52.93 -38.9 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.63 9.27 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.1 mmt85 -111.25 -30.79 7.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 150.48 -19.62 1.03 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -39.7 106.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.454 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -84.54 97.83 9.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.872 HD22 HD12 ' A' ' 88' ' ' LEU . 14.8 tp -86.22 144.82 27.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.8 mm -121.46 152.04 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.516 ' O ' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -103.41 109.62 21.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -112.61 57.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.53 -54.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.3 -171.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -112.46 -48.37 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ALA . 12.3 m-20 -39.1 -43.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.33 -50.2 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ALA . 17.1 t80 -48.77 -32.49 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.21 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -68.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 24.9 mp0 -99.61 -178.71 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.237 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.734 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 19.8 t-160 -148.79 -114.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.808 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.97 168.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.713 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 70.6 5.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.802 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 84.08 105.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -172.73 154.82 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -114.19 179.83 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 26' ' ' ALA . 2.4 tp -89.68 113.76 25.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.819 ' HB1' HD21 ' A' ' 45' ' ' LEU . . . -168.53 78.56 0.79 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.05 158.05 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 12.5 tp -52.72 -19.88 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -68.98 -23.34 64.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.514 ' CG1' ' HD2' ' A' ' 41' ' ' PRO . 1.3 m -106.28 -44.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.819 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -44.44 -44.37 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -32.85 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.3 mm-40 -76.76 -36.81 56.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.25 -61.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 98.2 -155.74 20.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 55' ' ' ARG . 1.3 tm? -42.26 111.04 0.89 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' HD22 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 177.95 7.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.422 1.748 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . . . -83.13 -49.16 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.675 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.84 -51.62 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.761 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.45 40.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.951 ' HA ' HD21 ' A' ' 50' ' ' LEU . 1.9 ptt180 -98.2 4.0 48.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -39.72 155.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.604 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.681 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 2.5 mt-10 -43.17 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.01 128.22 36.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.663 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -134.76 164.32 34.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.368 1.043 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.499 HD11 HD13 ' A' ' 13' ' ' LEU . 8.3 mt -132.7 154.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.725 ' HB3' HD12 ' A' ' 76' ' ' LEU . 22.9 m-85 -129.99 131.12 45.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.808 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -134.7 164.3 27.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.652 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 24.5 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.834 ' HB ' HD22 ' A' ' 87' ' ' LEU . 5.7 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -81.63 -0.21 41.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.63 -16.02 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -156.37 25.81 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -42.12 -27.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -55.54 -56.75 16.63 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -45.45 91.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -46.88 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.18 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.78 -22.58 2.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 45' ' ' LEU . 2.5 mt -66.62 -56.65 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 85' ' ' ILE . . . -118.12 71.91 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.809 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -127.74 164.68 35.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.809 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.09 1.8 15.77 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.028 0.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -36.92 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 34.0 mm-40 -75.2 118.01 17.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -109.43 149.05 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 12.5 m-85 -143.73 169.99 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.997 HD12 HG22 ' A' ' 4' ' ' THR . 6.9 mt -121.96 128.01 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.925 HD21 ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -83.28 65.42 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 84.24 -38.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER 81.06 90.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 92' ' ' ILE . . . 117.77 29.5 2.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 92' ' ' ILE . 3.3 tt 33.87 37.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.9 OUTLIER -103.24 -0.21 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 89' ' ' GLU . . . -96.26 -53.27 1.49 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 1.065 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 50.7 t-105 -44.08 -48.9 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER -68.73 -37.07 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -43.36 -52.18 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.61 -31.53 72.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 96.5 46.94 2.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.065 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.9 OUTLIER -113.33 134.78 21.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 135.77 19.38 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.849 HG12 ' CD1' ' A' ' 95' ' ' TRP . 3.0 m -78.04 -175.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.734 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -78.85 59.3 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.659 HG13 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 4' ' ' THR . 3.4 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.688 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.7 p -3.8 98.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 9' ' ' ASP . 11.6 tt -98.77 166.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -102.23 171.64 5.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.08 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.4 Cg_endo -74.96 161.05 39.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 2.1 t-160 87.15 -44.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.61 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.444 ' HB3' HD11 ' A' ' 5' ' ' ILE . 5.5 m-20 -73.01 -39.21 66.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -68.65 -42.89 77.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.9 -20.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -86.36 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.338 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 18' ' ' ALA . 1.4 pp -43.87 -46.44 7.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -53.89 -36.02 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.27 10.01 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 19.8 mmt180 -110.91 -34.81 6.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.01 -22.4 0.69 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.505 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -39.75 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.642 ' HD2' HD12 ' A' ' 54' ' ' LEU . 1.2 mmtt -80.26 117.91 21.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.92 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -98.9 141.08 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.811 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.3 mm -118.25 128.21 75.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.583 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -98.05 100.2 11.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.563 HD13 HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -101.99 47.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' NE ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -111.17 -48.44 3.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' H ' ' CD ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -178.57 -178.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -119.6 -14.56 9.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.05 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.479 ' OE1' ' NE ' ' A' ' 24' ' ' ARG . 9.2 pt-20 -47.79 -23.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CD2' HD22 ' A' ' 39' ' ' LEU . 12.7 t80 -74.63 -25.31 59.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.997 HD22 ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -61.69 -48.25 81.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.985 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.45 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.619 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -99.56 -172.72 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.845 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 25.4 m-70 -154.14 -118.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.574 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.947 ' HA ' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER 177.95 171.01 0.45 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.383 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.72 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 83.99 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 82.65 88.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -139.66 163.39 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -134.7 13.62 3.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 29' ' ' TYR . 2.9 tp 56.28 111.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.811 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -159.02 86.19 2.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.05 138.52 23.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 76' ' ' LEU . 15.1 tp -43.79 -28.88 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 41' ' ' PRO . 16.7 m -54.59 -33.31 60.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -87.57 -47.1 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -41.44 -54.59 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -35.49 72.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.7 mm-40 -75.12 -27.88 59.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.84 -71.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 121.34 -171.57 15.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -38.83 121.01 1.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.653 ' O ' HD12 ' A' ' 50' ' ' LEU . 18.6 Cg_endo -74.88 155.08 43.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.585 1.834 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -63.81 -57.26 10.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 1.187 . . . . 0.0 109.363 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.699 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -42.13 -52.08 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.01 51.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HA ' HD11 ' A' ' 50' ' ' LEU . 4.2 ppt_? -111.81 11.16 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 67.9 t60 -37.98 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -39.3 -42.94 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.55 121.2 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' CB ' ' A' ' 80' ' ' ALA . 1.9 pt -118.31 -170.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . 3.6 mt -152.63 163.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 12.3 m-85 -135.47 172.55 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.537 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -179.84 165.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.587 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.323 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.576 ' CG2' HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.661 ' N ' HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -56.65 -20.25 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.53 -43.05 98.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -125.27 34.15 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.39 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 70' ' ' SER . . . -84.61 0.39 50.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -37.14 62.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -88.56 -49.58 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.733 HD21 HD13 ' A' ' 42' ' ' LEU . 20.9 mt -43.27 -39.29 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.732 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -69.13 -43.45 74.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -72.51 -11.0 60.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 45' ' ' LEU . 2.0 mt -87.75 -53.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 59' ' ' ILE . . . -77.77 -22.02 50.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -48.26 163.08 0.31 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -12.36 24.06 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.034 -0.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -37.69 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.687 ' C ' HD12 ' A' ' 85' ' ' ILE . 22.3 mm-40 -77.15 134.16 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.687 HD12 ' C ' ' A' ' 84' ' ' GLU . 1.3 mp -114.98 162.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.48 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 89.9 m-85 -154.47 152.58 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.661 HD21 ' N ' ' A' ' 70' ' ' SER . 0.9 OUTLIER -107.13 112.62 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.9 tp -74.93 63.52 1.21 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' ASP . 1.3 tp10 70.39 -165.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' GLU . 10.4 m-20 -39.29 -39.61 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.95 -56.07 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -139.18 14.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -22.18 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.1 -60.41 5.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.925 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 64.9 t-105 -47.64 -45.74 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -69.52 -35.04 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 109.223 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' CB ' ' HG3' ' A' ' 7' ' ' PRO . 7.9 tptt -40.1 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.87 51.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 112.91 45.09 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.925 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -115.72 139.5 24.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.859 ' O ' HG13 ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.94 -89.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.759 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.947 HG12 ' HA ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER 173.09 -174.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.845 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . . . -81.34 51.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.925 ' CG2' HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.535 0.207 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.687 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.9 p 2.17 101.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.931 HD12 ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -108.16 143.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.667 ' O ' HD13 ' A' ' 5' ' ' ILE . 5.7 m -72.03 150.23 92.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.465 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 18.2 Cg_endo -75.01 59.38 5.18 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.561 1.821 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' A' ' 7' ' ' PRO . 11.0 m-70 -153.0 -45.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.634 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.63 -16.71 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.931 ' HB2' HD12 ' A' ' 5' ' ' ILE . . . -80.8 -37.89 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -52.7 -19.32 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.46 -69.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.705 HD11 HD11 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -41.59 -46.11 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -50.75 -37.79 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -89.58 20.65 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.3 mtt180 -119.47 -36.65 3.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.27 -26.34 0.24 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 58' ' ' GLN . . . -46.37 124.44 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -98.5 123.93 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.912 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -97.43 141.24 30.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.649 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 7.7 mm -109.32 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 20' ' ' LEU . 74.6 m-20 -102.58 76.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.204 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.639 HG21 HD11 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -79.37 54.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.41 -82.88 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.81 -169.13 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -113.05 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -39.4 -38.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -63.34 -54.06 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 24.0 t80 -53.46 -20.99 5.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.504 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -52.54 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.632 ' HA ' HG12 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -95.55 -170.85 2.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.733 ' CB ' ' HB3' ' A' ' 103' ' ' ALA . 28.8 m-70 -148.35 -114.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.626 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER 174.3 169.48 0.3 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.725 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 68.28 5.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER 90.09 106.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -156.06 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.15 16.75 6.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 40' ' ' ALA . 5.7 tp 61.07 120.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -174.39 84.83 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.562 ' HG2' HG23 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 167.18 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 42' ' ' LEU . 9.5 tp -60.24 -56.52 20.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -25.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.562 HG23 ' HG2' ' A' ' 41' ' ' PRO . 75.1 t -92.04 -40.74 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -60.25 -48.56 81.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -23.34 64.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -26.5 27.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -67.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 120.95 -169.85 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 51' ' ' PRO . 1.7 tm? -59.1 120.59 48.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.673 ' O ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.01 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -78.07 -58.85 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.624 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.86 -49.46 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -96.13 48.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.82 10.86 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.8 t-80 -35.45 143.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 12.3 tt0 -39.15 -30.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' HIS . 7.9 mt-30 -128.63 134.82 48.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.626 HD12 HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -141.86 167.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 13' ' ' LEU . 7.0 mt -136.69 148.99 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 1.168 ' CG ' HD12 ' A' ' 76' ' ' LEU . 19.8 m-85 -118.71 124.2 46.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -124.46 -164.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.657 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 108.292 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.853 ' CB ' HD11 ' A' ' 87' ' ' LEU . 14.1 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 9.2 p -50.9 -30.17 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.22 -24.57 64.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.1 m120 -143.62 44.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 69' ' ' THR . . . -71.9 0.75 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 1.6 t0 -84.39 -49.82 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.27 74.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.168 HD12 ' CG ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -47.74 -35.86 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.945 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -61.36 -49.97 74.77 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.58 26.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 77' ' ' ALA . 21.6 mt -120.8 -45.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -117.37 -49.68 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.945 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -41.25 169.22 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.944 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 2.53 14.93 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.978 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -41.3 161.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.207 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 85' ' ' ILE . 64.8 mm-40 -60.41 93.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -109.2 154.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.0 m-85 -156.7 155.45 31.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.853 HD11 ' CB ' ' A' ' 69' ' ' THR . 9.4 tp -107.52 131.52 54.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.486 HD12 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -79.72 54.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 7.2 mm-40 38.56 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' LEU . 17.5 m-20 -87.42 137.52 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' ASP . . . -36.03 -91.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -102.62 -31.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' LYS . 16.1 t70 -56.36 -26.5 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -62.12 -55.09 29.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.418 1.074 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.725 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 48.9 t-105 -55.7 -49.12 73.85 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -67.03 -22.03 65.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -51.38 -40.21 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.4 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.782 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -92.86 20.16 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.55 61.28 4.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.782 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -118.19 134.33 23.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.99 130.7 13.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.433 1.754 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.019 HG23 HG13 ' A' ' 104' ' ' VAL . 20.0 m -78.31 -174.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.733 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -79.59 54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 1.019 HG13 HG23 ' A' ' 102' ' ' VAL . 4.5 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.795 HG21 ' CE2' ' A' ' 86' ' ' PHE . 2.0 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.5 p 18.23 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.522 HD13 HD21 ' A' ' 13' ' ' LEU . 1.4 tt -100.33 149.63 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 159.19 39.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.86 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t60 176.16 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.616 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -24.92 37.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -70.57 -43.73 68.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -20.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.34 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.522 HD21 HD13 ' A' ' 5' ' ' ILE . 1.6 pp -42.41 -44.94 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -51.91 -38.92 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -90.15 15.15 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 3.9 mtt180 -113.86 -30.29 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 151.34 -20.15 0.93 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -40.13 125.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -101.47 107.41 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 HG22 ' A' ' 60' ' ' ILE . 11.9 tp -94.91 151.42 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 20' ' ' LEU . 4.8 mm -121.89 164.17 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -120.11 79.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.78 61.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -91.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -172.85 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -104.32 -52.56 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -39.51 -45.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 30' ' ' LEU . 17.3 mm-40 -45.29 -60.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -42.81 -26.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 tt -61.19 -77.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -71.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HA ' HG12 ' A' ' 104' ' ' VAL . 2.0 mp0 -105.58 -175.49 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 6.3 t-160 -141.43 -113.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.979 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.64 170.54 0.26 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.761 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.93 81.34 2.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER 68.83 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -156.91 -178.46 7.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -150.51 123.42 8.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.426 HD12 ' HD3' ' A' ' 41' ' ' PRO . 6.0 tp -39.13 112.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.677 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -165.77 74.41 1.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HD2' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.07 152.75 40.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -35.63 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.583 HG21 ' HD2' ' A' ' 41' ' ' PRO . 66.0 t -84.61 -51.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.48 -42.5 15.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 mt-30 -79.04 -33.47 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.221 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -131.85 -62.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 106.43 -172.92 19.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.392 1.057 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.013 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -37.94 114.75 0.77 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.493 ' N ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -94.43 -56.04 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.736 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -40.74 -44.52 2.22 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -99.37 45.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' O ' ' O ' ' A' ' 56' ' ' HIS . 3.0 ppt_? -125.25 17.7 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.673 ' O ' ' O ' ' A' ' 55' ' ' ARG . 18.1 t-160 -34.36 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -123.82 -71.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 5.1 mt-30 -106.16 98.35 8.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -86.0 169.94 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.733 HG22 HD13 ' A' ' 20' ' ' LEU . 4.2 mt -139.88 160.7 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -127.21 169.18 13.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.979 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -178.69 166.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.671 ' HB ' HD11 ' A' ' 87' ' ' LEU . 1.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.717 ' N ' HD21 ' A' ' 87' ' ' LEU . 17.5 p -53.45 -20.49 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.0 -30.72 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -157.64 44.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.627 ' O ' ' HB2' ' A' ' 77' ' ' ALA . . . -79.29 -4.58 51.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -53.55 45.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -55.57 9.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.3 -38.23 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.856 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -60.88 -42.2 97.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.12 63.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.672 HG22 ' N ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -63.74 -67.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.672 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -86.85 45.74 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -115.76 163.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 1.84 15.32 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.018 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -36.02 145.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' HD12 ' A' ' 85' ' ' ILE . 24.1 mm-40 -76.21 119.99 20.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 1.3 mp -108.34 166.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.795 ' CE2' HG21 ' A' ' 3' ' ' THR . 17.7 m-85 -145.8 146.76 31.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.717 HD21 ' N ' ' A' ' 70' ' ' SER . 1.5 mp -105.29 96.74 6.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . 13.7 tp -52.63 88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.8 tp10 -34.93 137.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 1.4 m-20 62.27 23.63 14.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . . . 41.47 -113.37 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -82.02 -33.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 90' ' ' ASP . 35.5 t70 -57.08 -23.84 49.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 90' ' ' ASP . . . -76.52 -41.15 25.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.761 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 40.2 t-105 -56.58 -38.22 71.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -81.08 -27.75 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.53 -48.11 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 1.076 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . . . -72.91 -31.79 64.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.496 ' C ' HD13 ' A' ' 100' ' ' LEU . . . 107.36 24.59 6.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.076 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -87.95 123.16 69.45 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 140.86 25.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.072 HG23 HG13 ' A' ' 104' ' ' VAL . 16.7 m -80.3 176.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -79.11 57.11 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 1.072 HG13 HG23 ' A' ' 102' ' ' VAL . 2.6 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.019 HD12 ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -73.81 113.81 11.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.388 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 4' ' ' THR . 6.6 m -160.6 169.3 23.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.415 1.072 . . . . 0.0 110.479 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.479 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -108.54 158.89 17.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.387 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -150.2 141.43 16.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -61.54 155.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HG3' ' CA ' ' A' ' 94' ' ' GLY . 18.3 Cg_endo -75.0 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -82.54 -51.64 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.643 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -19.98 48.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -77.28 -37.22 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -55.32 -17.17 4.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.559 ' CD ' HH21 ' A' ' 16' ' ' ARG . 1.4 tt0 -89.44 -69.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.529 HD21 ' CD1' ' A' ' 5' ' ' ILE . 1.6 pp -41.88 -48.18 4.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.565 1.166 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -50.58 -41.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.361 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -88.73 16.24 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.559 HH21 ' CD ' ' A' ' 12' ' ' GLU . 14.2 mmt180 -117.5 -36.09 3.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 166.17 -29.05 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.04 115.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -92.67 117.9 30.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 26.6 tp -103.24 137.46 41.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.643 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 12.6 mm -105.97 159.11 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' CE1' ' A' ' 62' ' ' HIS . 1.4 m-20 -108.88 73.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.82 57.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' CZ ' ' OD1' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -133.0 -87.81 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.79 -175.73 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . . . -101.86 -46.64 4.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.08 -40.52 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -49.83 -62.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -40.87 -35.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.77 -76.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -72.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.736 ' HA ' HG12 ' A' ' 104' ' ' VAL . 2.6 mt-10 -106.9 178.89 4.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' HB3' ' A' ' 103' ' ' ALA . 10.2 t-80 -136.14 -121.16 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.562 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.846 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.71 168.97 0.28 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.694 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.94 81.61 2.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.584 1.834 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.3 OUTLIER 71.78 102.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -168.86 150.33 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' HB2' ' CD2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -122.27 141.35 51.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 13.8 tp -45.15 129.23 7.76 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.719 ' HA ' HG11 ' A' ' 44' ' ' VAL . . . 177.26 71.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.776 ' O ' HG12 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.01 150.67 38.47 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 HD21 ' A' ' 76' ' ' LEU . 14.6 tp -46.01 -24.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 41' ' ' PRO . 32.9 m -66.65 -31.13 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 41' ' ' PRO . 4.0 p -88.26 -35.65 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.687 HD12 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -54.49 -53.04 59.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -22.96 66.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -22.56 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 22.1 p -140.98 -75.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' LEU . . . 126.94 175.01 13.96 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD21 ' CD1' ' A' ' 59' ' ' ILE . 1.4 tm? -39.28 121.03 1.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.211 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.798 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.0 Cg_endo -75.02 170.4 20.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -85.49 -48.42 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -49.7 -33.73 16.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.798 HD12 ' HG2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -114.61 50.06 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 ppt_? -115.77 11.13 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' ARG . 26.8 t-80 -35.15 149.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.556 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.16 -36.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -127.77 137.96 52.59 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.715 ' CD1' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -142.98 168.66 13.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 61' ' ' PHE . 7.1 mt -136.45 165.46 28.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.357 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 60' ' ' ILE . 6.0 m-85 -129.91 156.39 44.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.846 ' CE1' HD12 ' A' ' 34' ' ' ILE . 11.5 p80 -155.31 -164.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p -167.57 171.74 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.625 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 1.1 pp0? -50.97 -50.53 57.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 167.98 105.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.49 -34.45 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 69.22 37.38 2.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.243 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -95.51 18.57 12.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.519 ' CB ' HD22 ' A' ' 87' ' ' LEU . 66.8 p -71.98 -38.79 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.479 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.598 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -74.15 -22.03 59.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.54 -19.94 60.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 68' ' ' ARG . 2.5 m-80 -126.5 20.1 7.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 1.019 ' HB1' HD12 ' A' ' 2' ' ' LEU . . . -65.65 -11.32 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -56.52 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -55.32 6.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 42' ' ' LEU . 39.7 mt -44.51 -33.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -66.48 -54.37 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.24 -8.06 15.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.178 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.687 HG21 HD12 ' A' ' 45' ' ' LEU . 7.4 mt -97.48 -48.58 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.482 ' CB ' HG12 ' A' ' 85' ' ' ILE . . . -95.9 -60.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -40.93 162.41 0.11 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.724 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.99 0.43 16.51 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.002 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.739 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -42.88 120.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 49.7 mm-40 -37.64 99.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.739 HD13 ' O ' ' A' ' 83' ' ' ALA . 1.2 mp -111.39 161.3 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.535 ' O ' HD23 ' A' ' 87' ' ' LEU . 66.3 m-85 -157.35 -176.89 6.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 86' ' ' PHE . 32.8 mt -134.84 130.44 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.1 tp -71.06 61.03 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.607 1.192 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 51.09 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 110.254 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' LEU . 12.7 m-20 -110.8 150.04 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 65' ' ' ALA . . . -60.88 102.89 0.44 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER 69.35 -54.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 92' ' ' ILE . 18.9 t70 -38.93 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' ' HG3' ' A' ' 7' ' ' PRO . . . -65.69 -60.96 6.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.996 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 66.6 t-105 -48.72 -42.74 36.13 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 99' ' ' GLY . 8.0 ttpt -73.22 -31.8 64.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.1 tttt -42.38 -64.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.33 -23.52 64.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 95.82 51.3 1.82 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.996 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 1.4 mt -111.39 127.19 27.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.751 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.4 Cg_endo -74.97 134.46 17.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.014 HG23 HG13 ' A' ' 104' ' ' VAL . 3.1 m -78.34 176.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.61 65.12 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 1.014 HG13 HG23 ' A' ' 102' ' ' VAL . 6.3 m -88.04 70.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -164.64 127.53 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.23 134.07 42.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.96 -58.8 0.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.852 HD23 HD21 ' A' ' 87' ' ' LEU . 3.5 mp 50.05 88.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.246 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 m -63.25 152.96 36.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.5 p -107.07 127.3 53.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.27 140.84 31.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 172.01 11.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.905 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.1 Cg_endo -75.02 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 7.9 t-80 87.45 -44.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.635 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.24 -34.23 28.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -74.11 -29.06 61.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -65.13 -9.13 20.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -99.15 -66.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 10' ' ' ALA . 1.5 pp -41.8 -49.2 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -53.04 -37.18 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.237 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.81 8.58 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 26.2 mmt180 -111.28 -32.59 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 156.18 -23.0 0.52 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -36.26 109.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' CD ' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -84.42 120.23 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.688 ' C ' HD13 ' A' ' 21' ' ' ILE . 1.1 tt -104.54 137.12 42.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.714 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 5.9 mm -113.45 148.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD2' ' NE2' ' A' ' 62' ' ' HIS . 1.3 m-20 -104.93 79.5 1.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.064 HD13 HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -82.27 51.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -126.36 -89.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.1 -171.95 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.49 -45.82 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 59.5 m-20 -47.73 -25.45 1.24 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 24' ' ' ARG . 24.7 mm-40 -67.47 -51.47 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -56.88 -31.2 64.61 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -53.59 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -53.91 -72.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 22.3 mp0 -108.13 179.85 4.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.73 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 7.2 t-160 -137.66 -113.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.935 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.13 170.33 0.31 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.613 1.195 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.703 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.07 85.23 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.566 ' HB2' HG23 ' A' ' 14' ' ' ILE . 0.7 OUTLIER 70.37 97.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.554 ' CB ' HG22 ' A' ' 34' ' ' ILE . . . -158.2 -173.39 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.203 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -163.85 133.72 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ASP . 8.2 tp -40.26 124.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.714 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -172.26 74.75 0.46 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.535 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.94 140.53 25.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 45' ' ' LEU . 15.1 tp -43.41 -33.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.96 -32.6 15.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -88.47 -44.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD12 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -41.27 -53.05 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -36.6 79.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.92 -28.6 63.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.41 -72.27 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.24 -177.65 16.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -40.47 126.77 1.81 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 109.353 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.774 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.95 168.73 24.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -81.86 -47.92 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -51.46 -32.83 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.774 HD12 ' HG2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -116.08 50.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.777 ' HA ' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -114.5 12.44 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.9 t60 -34.89 146.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.571 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' HIS . 6.3 tt0 -38.73 -30.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' HIS . 1.9 mp0 -133.37 134.31 43.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.507 HG12 ' CD1' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -133.85 170.51 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.3 mt -136.14 153.3 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.94 149.45 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.05 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.935 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -159.17 -167.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -166.55 -166.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 92' ' ' ILE . 35.8 tt0 -38.71 -91.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.787 ' HB2' HG22 ' A' ' 92' ' ' ILE . . . 179.16 108.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 68' ' ' ARG . . . 102.53 -41.67 2.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.108 . . . . 0.0 111.045 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -44.86 -26.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 1.0 OUTLIER 81.65 143.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.889 ' HB ' HD22 ' A' ' 87' ' ' LEU . 3.7 m -102.46 -5.51 23.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.446 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.834 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 27.9 p -83.6 -11.1 57.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.89 -18.16 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -141.67 27.7 1.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.834 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -65.08 -15.14 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -69.11 -56.16 8.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.073 . . . . 0.0 109.341 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -74.39 -54.6 7.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.064 HD11 HD13 ' A' ' 23' ' ' ILE . 74.1 mt -44.78 -28.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 73' ' ' ALA . . . -75.62 -46.44 31.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -87.53 16.72 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 45' ' ' LEU . 9.9 mt -112.97 -27.82 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.677 ' HB1' HD11 ' A' ' 85' ' ' ILE . . . -111.56 -41.94 3.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 82' ' ' PRO . . . -37.41 154.02 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -3.39 19.57 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 120.937 -2.526 . . . . 0.0 110.987 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' PRO . . . -39.78 144.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 85' ' ' ILE . 12.6 mm-40 -75.7 116.02 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.677 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.1 mp -110.22 163.55 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' HD23 ' A' ' 87' ' ' LEU . 99.4 m-85 -151.71 177.01 10.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.889 HD22 ' HB ' ' A' ' 69' ' ' THR . 71.2 mt -130.01 111.99 13.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 90' ' ' ASP . 16.2 tp -61.27 88.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 1.7 tp10 36.43 -98.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' LEU . 1.5 m-20 -125.0 77.15 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.54 -103.99 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -101.92 -25.29 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -42.51 -28.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -73.83 -61.1 3.41 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.73 ' O ' HD22 ' A' ' 100' ' ' LEU . 43.4 t-105 -47.23 -42.24 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 94' ' ' GLY . 2.5 tptt -43.65 -67.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 1.005 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . . . -58.35 -22.95 55.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 109.242 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.66 24.27 16.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.345 1.028 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.005 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -74.18 133.57 78.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.05 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.452 ' CG1' ' H ' ' A' ' 33' ' ' HIS . 0.7 OUTLIER -80.89 163.47 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -78.58 91.97 4.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 106' ' ' LYS . 5.3 m -98.17 177.37 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -46.7 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 104' ' ' VAL . 9.9 mttt 51.69 97.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.367 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 p -86.71 -7.42 58.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.408 1.068 . . . . 0.0 109.956 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.542 HD21 ' CB ' ' A' ' 77' ' ' ALA . 8.1 mt -97.13 -46.06 6.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 m 64.57 152.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.482 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.644 ' C ' HG22 ' A' ' 5' ' ' ILE . 80.7 p -90.3 -170.47 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.644 HG22 ' C ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -175.71 149.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -72.65 157.27 89.17 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 94' ' ' GLY . 18.2 Cg_endo -74.92 -8.32 20.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.575 1.829 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -81.37 -44.82 17.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.632 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -28.47 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.508 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -71.29 -42.95 68.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.07 -17.42 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.29 -67.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.712 ' CD1' HD11 ' A' ' 60' ' ' ILE . 1.3 pp -43.41 -47.87 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -35.85 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.99 8.41 15.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 12.2 mtp180 -113.78 -40.29 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.23 -29.05 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -38.89 109.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.849 ' HG3' HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -80.85 152.34 28.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.627 HD21 HD13 ' A' ' 34' ' ' ILE . 14.4 tp -136.67 141.26 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 20' ' ' LEU . 1.5 mm -109.03 160.08 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.44 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -113.44 71.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.531 HG21 ' CE2' ' A' ' 61' ' ' PHE . 0.8 OUTLIER -79.16 61.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -126.08 -78.15 0.59 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.485 ' CB ' ' HG2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -161.9 -172.12 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -94.96 -55.18 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -45.22 -36.38 3.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 21.3 mm-40 -54.2 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.947 ' CB ' HD12 ' A' ' 39' ' ' LEU . 75.7 t80 -42.23 -35.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.6 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' O ' HG12 ' A' ' 104' ' ' VAL . 5.1 mtt180 -44.78 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HB3' HG11 ' A' ' 102' ' ' VAL . 2.3 mp0 -107.74 172.56 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.675 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 1.3 t60 -128.62 -119.51 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.746 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.34 168.64 0.31 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.685 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.02 81.41 2.22 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.1 OUTLIER 74.51 100.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.554 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -169.33 169.8 8.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.454 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -139.13 123.69 18.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.947 HD12 ' CB ' ' A' ' 29' ' ' TYR . 6.6 tt -36.65 131.18 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.596 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . 178.9 78.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.787 ' HD3' HD23 ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.92 153.6 42.32 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.589 HD11 HD21 ' A' ' 76' ' ' LEU . 5.0 tp -41.61 -54.44 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LEU . 38.6 m -38.66 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG21 ' HD2' ' A' ' 41' ' ' PRO . 61.0 t -88.57 -50.94 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -43.95 -45.54 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -33.38 72.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -74.16 -35.28 64.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' VAL . 16.7 t -131.24 -61.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 103.04 178.95 26.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.952 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -37.63 115.96 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.755 ' HG2' HD12 ' A' ' 54' ' ' LEU . 18.3 Cg_endo -75.02 171.07 19.04 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.44 -1.49 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HE2' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -92.4 -31.82 15.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.849 HD23 ' HG3' ' A' ' 19' ' ' LYS . 1.2 mt -111.02 39.34 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -96.41 9.35 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 52.8 t-80 -38.17 146.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.576 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.25 -46.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' CG ' ' HB2' ' A' ' 84' ' ' GLU . 12.4 mt-30 -129.07 126.28 39.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.871 HG13 HG23 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -119.97 -174.71 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.712 HD11 ' CD1' ' A' ' 13' ' ' LEU . 68.8 mt -146.64 166.82 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.844 ' HE1' HD11 ' A' ' 59' ' ' ILE . 5.6 m-85 -134.2 154.18 51.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.746 ' CE1' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -163.02 162.1 25.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.576 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.5 p -141.59 -173.33 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.294 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.64 ' O ' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -41.6 -89.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.246 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -166.99 68.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.28 36.96 0.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt 63.66 -98.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 56.23 18.84 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.591 ' HB ' HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -109.64 -81.72 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.761 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -47.51 -37.29 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 72' ' ' ASN . 2.2 m-80 -51.44 -24.75 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 71' ' ' ASN . 0.3 OUTLIER -141.25 40.51 1.77 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.761 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -78.18 -6.52 55.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.81 -51.7 15.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -77.89 -55.51 5.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.672 HD22 ' HE2' ' A' ' 61' ' ' PHE . 49.4 mt -44.44 -35.92 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.823 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -71.14 -44.73 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -64.61 -15.08 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.487 HG23 ' H ' ' A' ' 50' ' ' LEU . 1.1 mt -76.27 -56.01 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.065 ' HB3' ' CD1' ' A' ' 85' ' ' ILE . . . -104.98 45.08 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.823 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -108.99 165.36 12.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.811 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 1.76 15.38 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.051 -0.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -43.65 118.23 1.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 58' ' ' GLN . 38.1 mm-40 -52.55 147.97 7.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.065 ' CD1' ' HB3' ' A' ' 80' ' ' ALA . 3.3 mt -146.3 160.18 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.568 ' O ' HD13 ' A' ' 87' ' ' LEU . 95.2 m-85 -137.45 177.17 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD12 ' HB ' ' A' ' 69' ' ' THR . 1.2 mm? -116.45 97.38 5.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HB2' HG21 ' A' ' 60' ' ' ILE . 4.5 tp -56.71 86.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER 38.54 -158.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.222 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.76 65.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . 74.87 -100.4 1.22 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 64' ' ' GLN . 16.7 tt -109.98 -22.16 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 0.713 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -45.4 -26.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.498 ' O ' ' CG ' ' A' ' 7' ' ' PRO . . . -66.87 -46.86 70.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.623 1.202 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.946 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 57.9 t-105 -57.6 -37.24 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -81.57 -29.71 33.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.4 tmtm? -50.49 -44.03 55.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -90.21 18.12 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 51.82 69.0 1.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.946 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 3.2 mt -125.24 129.43 24.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.66 10.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.561 1.822 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.655 ' CG1' HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -77.02 -172.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.675 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -93.89 74.7 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG13 ' CG1' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -95.97 138.43 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -46.99 119.89 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.06 160.65 16.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.6 t 177.36 103.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.949 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.64 HD21 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -39.68 -38.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.361 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 3.4 m 65.45 156.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 t -107.88 126.66 52.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.659 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -106.6 153.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.468 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -88.45 176.71 3.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.065 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.1 Cg_endo -75.01 179.62 5.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 9.4 t-80 81.11 -51.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.581 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.58 -37.67 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -61.54 -50.0 74.44 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.11 -20.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -86.97 -69.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.659 HD21 ' CD1' ' A' ' 5' ' ' ILE . 1.4 pp -42.59 -44.19 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -52.57 -42.34 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -87.4 13.77 9.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -113.02 -32.81 6.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 158.89 -25.03 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.564 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -38.93 107.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 99.59 11.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.854 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -84.39 138.24 32.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.878 HG22 ' HB3' ' A' ' 40' ' ' ALA . 5.8 mm -110.98 140.5 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' ' NE2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -100.43 96.94 7.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -105.19 56.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.508 HH21 ' H ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -124.58 -58.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.96 -169.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.22 -45.03 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.18 -43.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' OE1' ' CG ' ' A' ' 64' ' ' GLN . 5.0 mt-10 -57.5 -68.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' H ' HH21 ' A' ' 24' ' ' ARG . 11.7 t80 -41.8 -28.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -47.81 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.854 ' O ' HG23 ' A' ' 104' ' ' VAL . 22.5 mtt180 -71.3 -64.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -91.09 -174.29 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.865 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 23.6 t-160 -152.41 -117.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.624 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.641 ' N ' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER 175.84 168.92 0.38 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.74 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.01 74.13 4.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HB2' HG23 ' A' ' 14' ' ' ILE . 0.0 OUTLIER 86.48 101.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.23 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.589 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -154.85 150.27 27.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.505 ' CG ' HD11 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -120.51 9.53 10.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.528 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 44.5 tp 66.15 144.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.878 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . 173.99 79.07 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.595 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.08 144.33 29.85 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.755 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -38.37 -53.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' LEU . 3.3 m -34.61 -39.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.595 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -86.54 -53.35 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -43.96 -46.03 8.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.085 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.12 -34.28 77.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.8 mm100 -75.3 -32.5 61.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.92 -65.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 108.06 -156.92 15.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -38.3 105.25 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.544 ' HG2' HD23 ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.99 156.5 43.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -64.91 -59.5 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.726 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -39.4 -48.72 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.74 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -101.6 50.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.39 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.61 10.37 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.235 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 55' ' ' ARG . 21.4 t-80 -40.72 161.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.621 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.92 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -118.44 143.29 46.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -132.98 168.53 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 13' ' ' LEU . 3.6 mt -139.34 152.76 23.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.596 ' CE1' HD11 ' A' ' 59' ' ' ILE . 1.8 m-85 -124.32 170.82 10.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.642 ' HA ' HG21 ' A' ' 69' ' ' THR . 0.0 OUTLIER 179.98 -172.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 18.1 p -179.39 -178.77 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 108.26 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.512 ' O ' ' CA ' ' A' ' 91' ' ' GLY . 48.7 mt-30 -47.27 175.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.15 57.2 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.391 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 67' ' ' LYS . . . -120.32 -33.41 1.04 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 90' ' ' ASP . 4.6 tttp 78.16 60.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' ASN . 0.6 OUTLIER -98.95 -29.6 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.75 ' HB ' HD11 ' A' ' 87' ' ' LEU . 74.8 p -47.69 -31.28 4.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.467 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 78.9 p -83.1 -28.77 29.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.054 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' ARG . 5.7 m-80 -73.2 -17.49 61.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -138.87 34.54 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.64 ' O ' HD21 ' A' ' 2' ' ' LEU . . . -76.39 -2.13 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -91.22 -48.67 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -77.75 -62.05 1.79 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.619 1.2 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.544 HD21 ' CD2' ' A' ' 42' ' ' LEU . 63.9 mt -39.02 -30.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.609 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . -66.11 -70.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 77' ' ' ALA . . . -37.65 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -63.46 -55.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.771 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -85.73 -45.51 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.797 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -39.75 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.797 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.06 -0.76 17.59 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.945 0.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.435 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -40.82 159.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' C ' HD12 ' A' ' 85' ' ' ILE . 18.3 mm-40 -80.45 103.81 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.745 HG12 ' HB3' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -104.75 164.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 97.2 m-85 -151.8 167.65 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.75 HD11 ' HB ' ' A' ' 69' ' ' THR . 1.0 OUTLIER -114.55 110.29 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.71 71.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HG2' ' CA ' ' A' ' 94' ' ' GLY . 2.9 tp10 77.91 -150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 67' ' ' LYS . 13.1 p-10 -121.6 71.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 92' ' ' ILE . . . 88.21 78.81 1.28 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 92' ' ' ILE . 3.3 tt 32.18 38.94 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 0.817 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -100.56 0.54 39.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -95.51 -47.85 2.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.74 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 58.6 t-105 -53.16 -67.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -53.74 -25.98 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.356 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -48.75 -46.65 41.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.923 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -88.72 20.52 3.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 47.33 45.3 21.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.923 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -98.07 133.83 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 136.59 20.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.641 HG12 ' N ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -80.14 177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.865 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -79.32 66.63 4.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.2 p -104.07 142.16 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 53.56 98.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -56.31 -66.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -63.48 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.232 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.015 HD21 ' HB2' ' A' ' 77' ' ' ALA . 3.2 mm? -42.37 -91.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER 69.54 161.1 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -116.84 136.04 53.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.052 HD11 ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -119.69 147.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -80.92 177.67 2.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.875 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 18.1 Cg_endo -74.96 176.76 9.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.2 t60 70.43 -58.83 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.128 . . . . 0.0 109.581 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 1.052 ' HB2' HD11 ' A' ' 5' ' ' ILE . . . -68.16 -41.64 81.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -55.54 -17.46 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.77 -67.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 18' ' ' ALA . 1.6 pp -43.48 -47.37 7.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 35' ' ' PRO . 0.1 OUTLIER -53.73 -38.5 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.05 7.74 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 26.5 mmt180 -111.62 -41.62 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 169.83 -31.46 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -41.89 111.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -93.0 129.23 38.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.925 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -102.14 140.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.029 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.7 mm -108.04 143.52 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.922 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -102.95 79.21 1.74 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.208 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.01 53.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.682 HH21 ' HB2' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -121.51 -89.99 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.196 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.37 -165.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.49 -36.45 8.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -55.52 -32.41 62.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HB2' ' NE ' ' A' ' 24' ' ' ARG . 16.1 mm-40 -63.46 -61.28 2.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.682 ' HB2' HH21 ' A' ' 24' ' ' ARG . 71.8 t80 -52.27 -18.98 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -48.66 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 104' ' ' VAL . 21.1 mtt180 -77.8 -66.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.96 175.62 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.201 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.944 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 16.9 t60 -146.41 -39.08 0.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.546 1.154 . . . . 0.0 109.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.986 HG13 HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 86.93 169.88 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.686 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 88.31 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.9 OUTLIER 72.06 96.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.922 ' HB1' ' OD1' ' A' ' 22' ' ' ASP . . . -144.7 140.3 28.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -112.2 15.09 20.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD12 ' HD3' ' A' ' 41' ' ' PRO . 2.9 tp 56.85 109.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.613 1.195 . . . . 0.0 109.388 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 1.029 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -157.89 80.93 3.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HD2' HG21 ' A' ' 44' ' ' VAL . 18.3 Cg_endo -74.85 154.78 43.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.59 HD11 HD21 ' A' ' 76' ' ' LEU . 6.0 tp -43.01 -52.28 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -40.94 -27.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' HD2' ' A' ' 41' ' ' PRO . 83.9 t -89.65 -43.0 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.5 -42.33 87.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -30.99 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' SER . 16.1 mm-40 -74.54 -36.07 63.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.31 -69.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.44 -171.96 18.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' A' ' 55' ' ' ARG . 5.0 tt -41.73 117.02 1.71 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.646 ' HG2' HD23 ' A' ' 54' ' ' LEU . 18.2 Cg_endo -75.02 129.06 11.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -40.09 -61.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.35 -55.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.376 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.646 HD23 ' HG2' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -92.88 48.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.779 ' HA ' HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -114.21 10.75 17.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' GLU . 82.2 t60 -39.2 154.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.6 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -36.26 -60.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.385 1.053 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 84' ' ' GLU . 3.6 mt-30 -111.35 138.61 47.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.637 HD11 ' HE1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -137.15 168.72 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' LYS . 8.3 mt -129.9 159.94 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.679 ' HE2' HD22 ' A' ' 76' ' ' LEU . 2.2 m-85 -122.74 165.55 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.865 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -178.37 154.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.426 ' C ' ' N ' ' A' ' 65' ' ' ALA . 37.5 t -143.04 59.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 108.304 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.736 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER 48.56 20.44 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . 159.32 120.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 67' ' ' LYS . . . -79.12 -123.08 0.35 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.514 1.134 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER 30.92 46.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 9.0 ptm180 179.3 -31.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.458 ' HB ' ' CG ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -49.79 -32.12 13.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.44 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.499 ' N ' HD21 ' A' ' 87' ' ' LEU . 3.8 p -72.76 -7.28 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 68' ' ' ARG . 93.8 m-20 -58.25 -42.03 85.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -139.7 31.86 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' A' ' 70' ' ' SER . . . -66.17 -22.14 66.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 13.2 t70 -53.03 -61.43 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -45.42 89.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 ' HE2' ' A' ' 61' ' ' PHE . 93.1 mt -51.62 -31.95 27.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 1.015 ' HB2' HD21 ' A' ' 2' ' ' LEU . . . -70.8 -47.88 57.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.06 -11.94 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.05 -55.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.107 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.751 ' HB1' HD11 ' A' ' 85' ' ' ILE . . . -72.64 -43.01 63.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 77' ' ' ALA . . . -37.38 154.39 0.1 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.07 -5.87 22.1 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.957 -2.518 . . . . 0.0 111.039 0.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.36 149.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' HD12 ' A' ' 85' ' ' ILE . 3.1 mp0 -85.1 120.14 26.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.751 HD11 ' HB1' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -108.96 165.57 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.534 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 85.5 m-85 -153.81 139.18 17.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.584 1.177 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.499 HD21 ' N ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -88.74 107.12 18.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.529 HD12 HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -50.82 143.43 9.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -37.55 -30.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.184 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 93' ' ' ASP . 0.4 OUTLIER 168.29 115.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 92' ' ' ILE . . . -42.86 93.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.986 HD12 HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER 83.28 -51.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 109.36 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -56.65 -20.99 24.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 90' ' ' ASP . . . -102.34 -37.91 3.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 1.063 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 36.9 t-105 -60.45 -49.69 76.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER -69.6 -30.42 68.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.02 -65.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.875 ' HB2' ' HB2' ' A' ' 7' ' ' PRO . . . -52.3 -27.45 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.356 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 104.47 46.79 1.27 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.063 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 2.5 mt -119.65 120.9 30.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 0.739 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.91 28.32 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.442 1.759 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.807 HG23 HG13 ' A' ' 104' ' ' VAL . 2.6 m -79.23 176.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.944 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -80.4 63.32 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.807 HG13 HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -78.93 -179.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 106' ' ' LYS . 8.3 t30 -114.78 52.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 105' ' ' ASN . 5.4 tptt 87.48 132.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 106' ' ' LYS . 57.6 p -38.75 153.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.354 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.714 HD13 HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -38.36 -89.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.69 ' H ' HD12 ' A' ' 2' ' ' LEU . 1.0 OUTLIER 179.38 166.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.19 . . . . 0.0 110.443 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.518 HG23 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -136.99 115.48 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.376 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.562 HD13 HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -103.13 156.15 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.28 161.56 30.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.3 Cg_endo -75.08 104.33 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.424 1.749 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 1.7 t-80 160.07 -47.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.567 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.02 -26.42 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' N ' HD11 ' A' ' 5' ' ' ILE . . . -64.74 -44.49 89.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -49.62 -22.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 110.374 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -83.1 -69.73 0.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 HD13 ' A' ' 5' ' ' ILE . 2.3 pp -43.54 -46.48 7.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.44 HG12 ' CB ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -53.38 -38.41 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.29 10.7 14.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 24.6 mmt180 -111.8 -35.19 5.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 157.35 -24.12 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.515 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -38.43 112.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HD2' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -86.42 110.74 19.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.806 ' O ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -91.45 149.18 21.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.92 HG23 ' HB3' ' A' ' 40' ' ' ALA . 12.3 mm -130.25 144.5 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.525 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -110.96 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.078 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 76' ' ' LEU . 1.1 pp -81.07 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NE ' ' HB2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -125.66 -90.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.84 -171.82 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -32.74 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.79 -33.96 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.411 ' HB2' ' NE ' ' A' ' 24' ' ' ARG . 5.4 mt-10 -64.31 -40.77 96.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.686 ' CG ' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.62 -10.68 28.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -79.65 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.646 ' O ' HG12 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -50.6 -27.7 7.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' CG ' HG21 ' A' ' 102' ' ' VAL . 18.2 mt-10 -152.0 -174.33 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.938 ' CE1' ' HB3' ' A' ' 37' ' ' ALA . 73.0 t60 -149.61 -118.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.664 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.023 HD12 ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 175.38 168.55 0.36 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.712 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.1 Cg_endo -75.0 91.42 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.756 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 77.39 80.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.02 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -131.47 153.66 49.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.128 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.46 9.07 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.686 HD22 ' CG ' ' A' ' 29' ' ' TYR . 1.7 tp 64.96 121.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.92 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -172.4 81.62 0.45 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -74.97 143.11 28.77 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 15.3 tp -46.33 -31.44 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.5 -31.54 35.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG11 ' HD2' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -89.99 -47.85 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.26 -52.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -62.57 -32.21 73.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.372 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -141.52 -68.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 125.67 -177.44 17.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.909 HD12 ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -40.07 136.59 1.29 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.247 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.909 ' HD2' HD12 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.01 -175.32 2.31 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 1.28 30.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.623 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -105.95 -48.17 3.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -92.1 39.16 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.748 ' HA ' HD11 ' A' ' 50' ' ' LEU . 1.3 ptt180 -106.5 12.89 29.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 1.196 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLN . 8.0 t-80 -37.54 146.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.547 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' HIS . 1.4 tp10 -38.31 -30.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' HIS . 2.1 mt-30 -131.91 126.63 34.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -132.48 163.57 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.9 mt -127.5 160.45 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.698 ' CE1' HD11 ' A' ' 76' ' ' LEU . 24.7 m-85 -133.89 160.73 36.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 1.023 ' CE1' HD12 ' A' ' 34' ' ' ILE . 2.1 p-80 -168.62 -177.04 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 62' ' ' HIS . 16.2 p -178.85 -157.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' OE1' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -52.66 171.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.67 57.12 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.362 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' O ' ' CD ' ' A' ' 68' ' ' ARG . . . -150.57 37.33 0.9 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 69' ' ' THR . 19.7 mtpt 59.33 -102.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.458 ' CD ' ' O ' ' A' ' 66' ' ' GLY . 30.4 mmm-85 66.76 -59.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 110.255 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.777 ' HB ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -40.74 -44.32 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.46 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -42.65 94.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . 6.4 m-20 -58.55 -18.73 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 76' ' ' LEU . 1.7 m120 -127.02 42.65 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 77' ' ' ALA . . . -95.71 4.25 53.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.98 -34.92 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -58.01 2.64 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.879 ' HA ' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -63.63 -21.0 66.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 2' ' ' LEU . . . -74.76 -54.19 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.586 ' HA ' ' HB3' ' A' ' 81' ' ' ALA . . . -54.47 -20.2 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.879 HD12 ' HA ' ' A' ' 76' ' ' LEU . 2.4 mt -65.5 -49.56 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' A' ' 50' ' ' LEU . . . -86.7 -37.66 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -39.83 160.1 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.639 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -0.65 17.25 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.998 0.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 85' ' ' ILE . . . -42.88 143.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 85' ' ' ILE . 25.8 mm-40 -67.11 120.42 13.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.714 HG22 HD13 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -115.87 157.39 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 84' ' ' GLU . 27.3 m-85 -152.21 169.47 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.068 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.777 HD22 ' HB ' ' A' ' 69' ' ' THR . 9.8 mt -118.64 127.5 53.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 34' ' ' ILE . 11.8 tp -40.08 -50.2 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' CD ' ' HA3' ' A' ' 94' ' ' GLY . 1.4 pm0 173.77 -36.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 89' ' ' GLU . 0.4 OUTLIER 159.95 75.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 64' ' ' GLN . . . 87.91 -103.29 2.9 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -152.49 25.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 4.7 t0 -86.76 2.68 47.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -95.76 -65.02 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 1.02 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 63.4 t-105 -39.92 -37.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tptt -76.2 -47.05 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.8 OUTLIER -42.43 -67.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 100' ' ' LEU . . . -47.96 -25.28 1.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 93.78 45.29 3.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.02 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 1.5 mt -111.95 126.47 28.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 134.98 18.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.788 HG12 ' HD1' ' A' ' 95' ' ' TRP . 2.2 m -77.95 178.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.828 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -78.97 82.65 5.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -100.17 72.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -78.25 163.27 25.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 74.72 -65.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.3 t -104.1 149.86 24.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 110.28 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 77' ' ' ALA . 3.7 mm? -51.0 109.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m -129.06 51.63 2.03 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.997 HG22 HD12 ' A' ' 87' ' ' LEU . 26.6 p -20.04 98.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.744 HD13 HD21 ' A' ' 13' ' ' LEU . 3.2 tt -92.73 151.31 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.2 OUTLIER -83.06 178.79 2.23 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 6' ' ' SER . 18.5 Cg_endo -74.99 179.76 5.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.0 -59.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -39.43 75.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.925 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -61.73 -41.24 97.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 11' ' ' GLN . 3.1 tt0 -55.15 -19.09 6.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -88.69 -70.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.744 HD21 HD13 ' A' ' 5' ' ' ILE . 2.0 pp -41.46 -46.44 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -52.93 -38.9 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -83.63 9.27 11.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.1 mmt85 -111.25 -30.79 7.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.18 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 150.48 -19.62 1.03 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -39.7 106.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -84.54 97.83 9.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.872 HD22 HD12 ' A' ' 88' ' ' LEU . 14.8 tp -86.22 144.82 27.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.8 mm -121.46 152.04 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.516 ' O ' ' CG ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -103.41 109.62 21.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -112.61 57.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.53 -54.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.3 -171.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -112.46 -48.37 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ALA . 12.3 m-20 -39.1 -43.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.33 -50.2 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' ALA . 17.1 t80 -48.77 -32.49 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.085 . . . . 0.0 110.923 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.21 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -68.3 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG3' ' CG1' ' A' ' 104' ' ' VAL . 24.9 mp0 -99.61 -178.71 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.237 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.734 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 19.8 t-160 -148.79 -114.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.808 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 174.97 168.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.713 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.4 Cg_endo -75.0 70.6 5.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.802 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 84.08 105.25 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 34' ' ' ILE . . . -172.73 154.82 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -114.19 179.83 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 26' ' ' ALA . 2.4 tp -89.68 113.76 25.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.819 ' HB1' HD21 ' A' ' 45' ' ' LEU . . . -168.53 78.56 0.79 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.05 158.05 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 12.5 tp -52.72 -19.88 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 41' ' ' PRO . 0.2 OUTLIER -68.98 -23.34 64.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.514 ' CG1' ' HD2' ' A' ' 41' ' ' PRO . 1.3 m -106.28 -44.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.819 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -44.44 -44.37 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -32.85 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.3 mm-40 -76.76 -36.81 56.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.25 -61.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 98.2 -155.74 20.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 55' ' ' ARG . 1.3 tm? -42.26 111.04 0.89 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD2' HD22 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.02 177.95 7.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.422 1.748 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' ' 55' ' ' ARG . . . -83.13 -49.16 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.675 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.84 -51.62 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.761 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.45 40.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.951 ' HA ' HD21 ' A' ' 50' ' ' LEU . 1.9 ptt180 -98.2 4.0 48.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -39.72 155.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.604 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.681 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 2.5 mt-10 -43.17 -73.51 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.01 128.22 36.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.663 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -134.76 164.32 34.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.368 1.043 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.499 HD11 HD13 ' A' ' 13' ' ' LEU . 8.3 mt -132.7 154.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.725 ' HB3' HD12 ' A' ' 76' ' ' LEU . 22.9 m-85 -129.99 131.12 45.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.808 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -134.7 164.3 27.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.652 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 62' ' ' HIS . 24.5 p -120.81 -142.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.991 ' O ' HG22 ' A' ' 92' ' ' ILE . 0.1 OUTLIER -96.76 -78.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HA ' ' CA ' ' A' ' 91' ' ' GLY . . . -167.39 70.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 67' ' ' LYS . . . -169.07 30.84 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' GLY . 11.3 mttt 38.68 42.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 0.791 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HB2' ' CB ' ' A' ' 63' ' ' CYS . 24.8 mmt180 -61.8 -48.27 81.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.834 ' HB ' HD22 ' A' ' 87' ' ' LEU . 5.7 p -53.39 -33.94 55.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -81.63 -0.21 41.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.63 -16.02 26.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 74' ' ' ASP . 0.3 OUTLIER -156.37 25.81 0.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.364 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 2' ' ' LEU . . . -42.12 -27.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -55.54 -56.75 16.63 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -45.45 91.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -46.88 -36.65 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.594 1.184 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 2' ' ' LEU . . . -69.18 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.78 -22.58 2.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 45' ' ' LEU . 2.5 mt -66.62 -56.65 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' O ' ' CD1' ' A' ' 85' ' ' ILE . . . -118.12 71.91 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.809 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -127.74 164.68 35.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.809 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.09 1.8 15.77 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.028 0.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -36.92 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 34.0 mm-40 -75.2 118.01 17.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -109.43 149.05 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 85' ' ' ILE . 12.5 m-85 -143.73 169.99 16.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.997 HD12 HG22 ' A' ' 4' ' ' THR . 6.9 mt -121.96 128.01 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.925 HD21 ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -83.28 65.42 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 84.24 -38.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 0.3 OUTLIER 81.06 90.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.503 ' CA ' ' HA ' ' A' ' 65' ' ' ALA . . . 117.77 29.5 2.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.991 HG22 ' O ' ' A' ' 64' ' ' GLN . 3.3 tt 33.87 37.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.9 OUTLIER -103.24 -0.21 30.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 89' ' ' GLU . . . -96.26 -53.27 1.49 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 1.065 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 50.7 t-105 -44.08 -48.9 9.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER -68.73 -37.07 79.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -43.36 -52.18 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.61 -31.53 72.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 96.5 46.94 2.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.065 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.9 OUTLIER -113.33 134.78 21.85 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 135.77 19.38 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.849 HG12 ' CD1' ' A' ' 95' ' ' TRP . 3.0 m -78.04 -175.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.734 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . . . -78.85 59.3 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.659 HG13 ' CG2' ' A' ' 102' ' ' VAL . 0.2 OUTLIER -81.54 81.18 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 54.8 t30 73.85 129.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 63.04 105.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.05 156.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.006 HD12 HD13 ' A' ' 87' ' ' LEU . 72.3 mt -136.64 -98.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.688 ' O ' ' C ' ' A' ' 4' ' ' THR . 3.4 m -159.16 25.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.17 . . . . 0.0 110.443 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.688 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.7 p -3.8 98.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 9' ' ' ASP . 11.6 tt -98.77 166.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -102.23 171.64 5.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 110.08 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 18.4 Cg_endo -74.96 161.05 39.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.49 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 2.1 t-160 87.15 -44.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.61 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' HB3' HD11 ' A' ' 5' ' ' ILE . 5.5 m-20 -73.01 -39.21 66.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -68.65 -42.89 77.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.9 -20.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -86.36 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.338 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 18' ' ' ALA . 1.4 pp -43.87 -46.44 7.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -53.89 -36.02 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -86.27 10.01 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 19.8 mmt180 -110.91 -34.81 6.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.01 -22.4 0.69 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.505 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -39.75 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.642 ' HD2' HD12 ' A' ' 54' ' ' LEU . 1.2 mmtt -80.26 117.91 21.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.92 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -98.9 141.08 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.811 HG23 ' HB3' ' A' ' 40' ' ' ALA . 13.3 mm -118.25 128.21 75.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.583 ' OD1' ' HB1' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -98.05 100.2 11.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.563 HD13 HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -101.99 47.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' NE ' ' OE1' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -111.17 -48.44 3.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' H ' ' CD ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -178.57 -178.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HA ' HD11 ' A' ' 39' ' ' LEU . . . -119.6 -14.56 9.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -73.05 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' OE1' ' NE ' ' A' ' 24' ' ' ARG . 9.2 pt-20 -47.79 -23.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CD2' HD22 ' A' ' 39' ' ' LEU . 12.7 t80 -74.63 -25.31 59.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.105 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.997 HD22 ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -61.69 -48.25 81.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.985 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.45 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.619 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.8 OUTLIER -99.56 -172.72 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.845 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 25.4 m-70 -154.14 -118.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.408 1.068 . . . . 0.0 109.574 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.947 ' HA ' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER 177.95 171.01 0.45 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.383 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.72 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -75.0 83.99 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 82.65 88.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 34' ' ' ILE . . . -139.66 163.39 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -134.7 13.62 3.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.682 HD22 ' CD2' ' A' ' 29' ' ' TYR . 2.9 tp 56.28 111.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.083 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.811 ' HB3' HG23 ' A' ' 21' ' ' ILE . . . -159.02 86.19 2.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' HG11 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.05 138.52 23.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 76' ' ' LEU . 15.1 tp -43.79 -28.88 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 41' ' ' PRO . 16.7 m -54.59 -33.31 60.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG22 HD23 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -87.57 -47.1 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -41.44 -54.59 3.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -35.49 72.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.7 mm-40 -75.12 -27.88 59.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.84 -71.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 121.34 -171.57 15.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -38.83 121.01 1.18 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.653 ' O ' HD12 ' A' ' 50' ' ' LEU . 18.6 Cg_endo -74.88 155.08 43.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.585 1.834 . . . . 0.0 111.067 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -63.81 -57.26 10.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.599 1.187 . . . . 0.0 109.363 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.699 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -42.13 -52.08 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -97.01 51.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HA ' HD11 ' A' ' 50' ' ' LEU . 4.2 ppt_? -111.81 11.16 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' ARG . 67.9 t60 -37.98 145.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 1.0 OUTLIER -39.3 -42.94 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.55 121.2 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.614 HD11 ' CB ' ' A' ' 80' ' ' ALA . 1.9 pt -118.31 -170.61 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . 3.6 mt -152.63 163.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 12.3 m-85 -135.47 172.55 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.537 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -179.84 165.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.587 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.7 t 174.47 141.75 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 108.323 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 50.86 -161.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -144.99 54.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' N ' ' HB3' ' A' ' 90' ' ' ASP . . . -173.17 66.08 0.12 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt 40.78 51.01 3.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -97.09 8.35 44.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.231 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.576 ' CG2' HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -110.94 -51.77 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.661 ' N ' HD21 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -56.65 -20.25 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.53 -43.05 98.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -125.27 34.15 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.39 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 70' ' ' SER . . . -84.61 0.39 50.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -37.14 62.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -88.56 -49.58 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.733 HD21 HD13 ' A' ' 42' ' ' LEU . 20.9 mt -43.27 -39.29 2.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.953 ' HB2' HD21 ' A' ' 2' ' ' LEU . . . -69.13 -43.45 74.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' LYS . . . -72.51 -11.0 60.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 45' ' ' LEU . 2.0 mt -87.75 -53.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 59' ' ' ILE . . . -77.77 -22.02 50.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 82' ' ' PRO . . . -48.26 163.08 0.31 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.02 -12.36 24.06 Favored 'Cis proline' 0 C--N 1.361 1.207 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.034 -0.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -37.69 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.687 ' C ' HD12 ' A' ' 85' ' ' ILE . 22.3 mm-40 -77.15 134.16 38.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.746 ' CG2' HD22 ' A' ' 2' ' ' LEU . 1.3 mp -114.98 162.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.48 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 89.9 m-85 -154.47 152.58 30.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.006 HD13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -107.13 112.62 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.9 tp -74.93 63.52 1.21 Allowed 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' ASP . 1.3 tp10 70.39 -165.58 0.16 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' HB3' ' N ' ' A' ' 66' ' ' GLY . 10.4 m-20 -39.29 -39.61 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.95 -56.07 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.4 OUTLIER -139.18 14.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.29 -22.18 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.1 -60.41 5.63 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.925 ' CZ3' HD13 ' A' ' 100' ' ' LEU . 64.9 t-105 -47.64 -45.74 28.21 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -69.52 -35.04 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 109.223 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' CB ' ' HG3' ' A' ' 7' ' ' PRO . 7.9 tptt -40.1 -67.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.87 51.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . . . 112.91 45.09 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.925 HD13 ' CZ3' ' A' ' 95' ' ' TRP . 0.5 OUTLIER -115.72 139.5 24.91 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.859 ' O ' HG13 ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.94 -89.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.759 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.947 HG12 ' HA ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER 173.09 -174.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.845 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . . . -81.34 51.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.925 ' CG2' HG23 ' A' ' 102' ' ' VAL . 0.6 OUTLIER -79.35 118.25 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -42.56 -66.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 120.57 10.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.42 173.89 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.691 HD13 ' HB1' ' A' ' 73' ' ' ALA . 11.3 mp 46.87 -107.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m -164.42 25.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.687 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.9 p 2.17 101.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.931 HD12 ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -108.16 143.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.667 ' O ' HD13 ' A' ' 5' ' ' ILE . 5.7 m -72.03 150.23 92.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.465 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 18.2 Cg_endo -75.01 59.38 5.18 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.561 1.821 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' A' ' 7' ' ' PRO . 11.0 m-70 -153.0 -45.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.634 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.63 -16.71 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.931 ' HB2' HD12 ' A' ' 5' ' ' ILE . . . -80.8 -37.89 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -52.7 -19.32 2.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -88.46 -69.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.705 HD11 HD11 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -41.59 -46.11 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -50.75 -37.79 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -89.58 20.65 3.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . 4.3 mtt180 -119.47 -36.65 3.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.27 -26.34 0.24 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.572 1.17 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 58' ' ' GLN . . . -46.37 124.44 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -98.5 123.93 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.912 HD23 ' C ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -97.43 141.24 30.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.649 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 7.7 mm -109.32 142.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 20' ' ' LEU . 74.6 m-20 -102.58 76.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.204 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.639 HG21 HD11 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -79.37 54.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HD3' ' NE2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -132.41 -82.88 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.81 -169.13 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -113.05 -38.15 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -39.4 -38.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -63.34 -54.06 42.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 24.0 t80 -53.46 -20.99 5.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.504 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -52.54 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -60.74 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.632 ' HA ' HG12 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -95.55 -170.85 2.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.733 ' CB ' ' HB3' ' A' ' 103' ' ' ALA . 28.8 m-70 -148.35 -114.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.626 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER 174.3 169.48 0.3 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.725 ' HG3' ' CE3' ' A' ' 95' ' ' TRP . 18.2 Cg_endo -75.07 68.28 5.84 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER 90.09 106.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -156.06 157.89 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.15 16.75 6.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 40' ' ' ALA . 5.7 tp 61.07 120.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.649 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -174.39 84.83 0.35 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.562 ' HG2' HG23 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 167.18 27.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 42' ' ' LEU . 9.5 tp -60.24 -56.52 20.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -25.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.562 HG23 ' HG2' ' A' ' 41' ' ' PRO . 75.1 t -92.04 -40.74 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -60.25 -48.56 81.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -23.34 64.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -26.5 27.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -67.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 120.95 -169.85 14.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 51' ' ' PRO . 1.7 tm? -59.1 120.59 48.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.673 ' O ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.01 171.41 18.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.76 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -78.07 -58.85 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.624 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.86 -49.46 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -96.13 48.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.82 10.86 16.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.281 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' ARG . 51.8 t-80 -35.45 143.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 1.183 . . . . 0.0 109.587 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 12.3 tt0 -39.15 -30.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.246 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' HIS . 7.9 mt-30 -128.63 134.82 48.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.626 HD12 HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -141.86 167.04 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 13' ' ' LEU . 7.0 mt -136.69 148.99 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 1.168 ' CG ' HD12 ' A' ' 76' ' ' LEU . 19.8 m-85 -118.71 124.2 46.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.642 ' CG ' ' N ' ' A' ' 63' ' ' CYS . 0.4 OUTLIER -124.46 -164.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.657 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.642 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 16.7 p -172.6 -173.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 108.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -49.57 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . -179.9 56.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -155.06 43.72 0.56 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.11 . . . . 0.0 111.005 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt 41.17 57.57 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -45.41 16.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.853 ' CB ' HD11 ' A' ' 87' ' ' LEU . 14.1 p -64.07 -54.92 26.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 9.2 p -50.9 -30.17 13.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -68.22 -24.57 64.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.1 m120 -143.62 44.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.691 ' HB1' HD13 ' A' ' 2' ' ' LEU . . . -71.9 0.75 8.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 1.6 t0 -84.39 -49.82 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.27 74.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.168 HD12 ' CG ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -47.74 -35.86 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.945 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -61.36 -49.97 74.77 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.58 26.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 77' ' ' ALA . 21.6 mt -120.8 -45.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 81' ' ' ALA . . . -117.37 -49.68 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.945 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -41.25 169.22 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.944 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 2.53 14.93 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.978 0.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 81' ' ' ALA . . . -41.3 161.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.207 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 85' ' ' ILE . 64.8 mm-40 -60.41 93.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -109.2 154.71 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.671 ' O ' HG23 ' A' ' 60' ' ' ILE . 19.0 m-85 -156.7 155.45 31.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.853 HD11 ' CB ' ' A' ' 69' ' ' THR . 9.4 tp -107.52 131.52 54.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.486 HD12 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -79.72 54.6 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LEU . 7.2 mm-40 38.56 -96.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' LEU . 17.5 m-20 -87.42 137.52 32.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' ASP . . . -36.03 -91.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -102.62 -31.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 97' ' ' LYS . 16.1 t70 -56.36 -26.5 52.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 97' ' ' LYS . . . -62.12 -55.09 29.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.418 1.074 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.725 ' CE3' ' HG3' ' A' ' 35' ' ' PRO . 48.9 t-105 -55.7 -49.12 73.85 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -67.03 -22.03 65.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER -51.38 -40.21 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.4 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.782 ' HB3' ' CD1' ' A' ' 100' ' ' LEU . . . -92.86 20.16 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 47.55 61.28 4.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.782 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -118.19 134.33 23.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 100' ' ' LEU . 18.3 Cg_endo -74.99 130.7 13.53 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.433 1.754 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.019 HG23 HG13 ' A' ' 104' ' ' VAL . 20.0 m -78.31 -174.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.733 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -79.59 54.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 1.019 HG13 HG23 ' A' ' 102' ' ' VAL . 4.5 m -80.34 155.41 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.49 158.97 25.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.8 120.33 3.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 m -107.3 135.72 48.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.119 . . . . 0.0 110.227 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.75 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 4.5 mm? -54.58 -103.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.795 HG21 ' CE2' ' A' ' 86' ' ' PHE . 2.0 m -137.08 6.49 2.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 3' ' ' THR . 1.5 p 18.23 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.522 HD13 HD21 ' A' ' 13' ' ' LEU . 1.4 tt -100.33 149.63 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.24 159.19 39.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.86 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t60 176.16 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.616 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -24.92 37.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HA ' HD21 ' A' ' 13' ' ' LEU . . . -70.57 -43.73 68.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -20.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.34 -69.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 HD21 HD13 ' A' ' 5' ' ' ILE . 1.6 pp -42.41 -44.94 4.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -51.91 -38.92 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -90.15 15.15 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 3.9 mtt180 -113.86 -30.29 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . 151.34 -20.15 0.93 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 13' ' ' LEU . . . -40.13 125.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HD2' HD12 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -101.47 107.41 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 HG22 ' A' ' 60' ' ' ILE . 11.9 tp -94.91 151.42 19.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 20' ' ' LEU . 4.8 mm -121.89 164.17 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -120.11 79.99 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -79.78 61.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -91.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.81 -172.85 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -104.32 -52.56 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -39.51 -45.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 30' ' ' LEU . 17.3 mm-40 -45.29 -60.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -42.81 -26.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 tt -61.19 -77.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -71.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HA ' HG12 ' A' ' 104' ' ' VAL . 2.0 mp0 -105.58 -175.49 2.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 6.3 t-160 -141.43 -113.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.562 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.979 HD12 ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 173.64 170.54 0.26 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.761 ' HG3' ' CD2' ' A' ' 95' ' ' TRP . 18.3 Cg_endo -74.93 81.34 2.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER 68.83 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' ' CG2' ' A' ' 34' ' ' ILE . . . -156.91 -178.46 7.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -150.51 123.42 8.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.426 HD12 ' HD3' ' A' ' 41' ' ' PRO . 6.0 tp -39.13 112.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.677 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . . . -165.77 74.41 1.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HD2' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.07 152.75 40.83 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.961 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -40.1 -57.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -35.63 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.963 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.583 HG21 ' HD2' ' A' ' 41' ' ' PRO . 66.0 t -84.61 -51.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -46.48 -42.5 15.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.3 mt-30 -79.04 -33.47 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.221 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -131.85 -62.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 106.43 -172.92 19.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.392 1.057 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.013 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -37.94 114.75 0.77 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.493 ' N ' HD22 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.0 -176.32 2.82 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -94.43 -56.04 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.736 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -40.74 -44.52 2.22 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -99.37 45.58 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' O ' ' O ' ' A' ' 56' ' ' HIS . 3.0 ppt_? -125.25 17.7 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.673 ' O ' ' O ' ' A' ' 55' ' ' ARG . 18.1 t-160 -34.36 -104.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.614 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -123.82 -71.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 5.1 mt-30 -106.16 98.35 8.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 60' ' ' ILE . 0.7 OUTLIER -86.0 169.94 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.733 HG22 HD13 ' A' ' 20' ' ' LEU . 4.2 mt -139.88 160.7 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -127.21 169.18 13.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.979 ' CD2' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -178.69 166.51 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 64' ' ' GLN . 40.2 t -165.03 -104.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 68' ' ' ARG . 2.0 tp60 -57.26 -169.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 93' ' ' ASP . . . -113.13 50.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.51 -80.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -120.91 -101.68 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 0.748 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER 69.38 -57.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.671 ' HB ' HD11 ' A' ' 87' ' ' LEU . 1.9 p -61.11 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.609 1.193 . . . . 0.0 110.427 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.717 ' N ' HD21 ' A' ' 87' ' ' LEU . 17.5 p -53.45 -20.49 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -63.0 -30.72 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -157.64 44.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.75 ' HB1' ' CD2' ' A' ' 2' ' ' LEU . . . -79.29 -4.58 51.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -53.55 45.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -55.57 9.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.6 mt -48.3 -38.23 18.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.856 ' O ' ' HB2' ' A' ' 81' ' ' ALA . . . -60.88 -42.2 97.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.64 -26.12 63.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.672 HG22 ' N ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -63.74 -67.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.672 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -86.85 45.74 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -115.76 163.48 20.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 1.84 15.32 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.018 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -36.02 145.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' HD12 ' A' ' 85' ' ' ILE . 24.1 mm-40 -76.21 119.99 20.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.7 ' HB ' HD12 ' A' ' 2' ' ' LEU . 1.3 mp -108.34 166.05 4.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.795 ' CE2' HG21 ' A' ' 3' ' ' THR . 17.7 m-85 -145.8 146.76 31.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.717 HD21 ' N ' ' A' ' 70' ' ' SER . 1.5 mp -105.29 96.74 6.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' GLU . 13.7 tp -52.63 88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 87' ' ' LEU . 2.8 tp10 -34.93 137.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 93' ' ' ASP . 1.4 m-20 62.27 23.63 14.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . . . 41.47 -113.37 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' A' ' 95' ' ' TRP . 0.4 OUTLIER -82.02 -33.28 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' HB2' ' HB1' ' A' ' 65' ' ' ALA . 35.5 t70 -57.08 -23.84 49.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.409 ' N ' ' HB3' ' A' ' 90' ' ' ASP . . . -76.52 -41.15 25.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.761 ' CD2' ' HG3' ' A' ' 35' ' ' PRO . 40.2 t-105 -56.58 -38.22 71.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -81.08 -27.75 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.53 -48.11 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 1.076 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . . . -72.91 -31.79 64.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.496 ' C ' HD13 ' A' ' 100' ' ' LEU . . . 107.36 24.59 6.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.076 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -87.95 123.16 69.45 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 140.86 25.86 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.072 HG23 HG13 ' A' ' 104' ' ' VAL . 16.7 m -80.3 176.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' A' ' 33' ' ' HIS . . . -79.11 57.11 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 1.072 HG13 HG23 ' A' ' 102' ' ' VAL . 2.6 m -80.24 85.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -52.59 -63.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -175.23 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.2 m 56.76 81.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.974 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.997 . . . . . . . . 0 0 . 1 stop_ save_