data_2dzr_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 2dzr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.6 mt -42.16 -72.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -38.8 -50.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -48.49 70.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.03 -52.42 58.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG2' HD22 ' A' ' 70' ' ' LEU . 59.7 t -66.43 -56.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -41.82 -28.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' VAL . 6.1 t0 -91.81 -41.88 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' VAL . 38.4 tp -45.56 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -45.51 -29.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 1.6 m-20 -74.28 -64.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -53.62 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -45.77 -48.11 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 24' ' ' LEU . 9.2 t80 -38.72 -56.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -41.78 -38.68 2.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.6 -53.25 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.799 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.6 -37.48 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 20' ' ' TYR . 26.7 mt -88.99 -31.56 18.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.05 -16.47 27.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.588 HG21 ' CD1' ' A' ' 28' ' ' TYR . 8.4 mt -46.24 165.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -107.95 -31.97 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.588 ' CD1' HG21 ' A' ' 26' ' ' ILE . 14.2 p90 -87.27 164.04 37.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 26' ' ' ILE . 11.4 t -105.81 159.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -91.26 149.11 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.534 ' HB ' ' CE1' ' A' ' 34' ' ' TYR . 53.4 t -94.17 135.22 24.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.91 73.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 22.1 m-30 -56.32 -52.73 63.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -47.17 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -54.98 -33.41 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.54 -26.76 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 1.4 mmmt -83.25 -55.9 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -44.78 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -120.17 113.49 34.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -21.26 16.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.98 45.57 3.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.8 m -105.24 -70.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.21 124.37 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.88 134.19 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.688 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -118.05 123.49 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -136.39 164.85 27.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.29 -10.32 73.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.7 164.26 0.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 169.53 22.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 122.64 7.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.74 -6.32 57.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 16.3 mt -119.99 99.77 48.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.548 1.815 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.47 86.81 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -146.38 -179.91 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -66.27 149.53 97.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.06 -15.0 20.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.7 m -61.81 -36.53 81.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -80.44 -5.74 57.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.8 m-30 -103.64 142.26 34.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.96 166.82 35.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 p -46.23 -39.25 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -59.89 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.439 ' CA ' HD12 ' A' ' 53' ' ' ILE . 14.0 m-20 -51.76 -45.42 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' ARG . 55.3 mt -55.83 -61.33 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.13 -32.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 56.6 mtt-85 -77.99 -54.97 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.464 HG23 ' CD1' ' A' ' 76' ' ' ILE . 13.2 mt -44.48 -64.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 HD22 ' CG2' ' A' ' 12' ' ' VAL . 47.0 mt -48.04 -27.9 2.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -68.97 -55.78 9.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' LYS . 27.4 m -89.55 18.39 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -48.07 -28.2 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -41.08 56.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mmtt -61.84 -50.59 71.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 69' ' ' ILE . 36.2 mt -41.09 121.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -130.19 120.25 24.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.688 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -91.98 152.18 20.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.3 m -126.52 126.71 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 29.5 mt -42.56 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.73 -41.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -44.85 93.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.6 mt-30 -54.24 -63.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 70' ' ' LEU . 21.5 t -55.85 -46.96 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -36.44 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.3 -38.35 24.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.2 tp -51.39 -71.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -42.42 -40.67 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 56.1 m-20 -66.15 -56.03 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -52.7 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -43.41 -40.39 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.569 ' CD2' HD11 ' A' ' 24' ' ' LEU . 3.1 t80 -50.48 -50.17 53.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.1 -45.44 14.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -67.55 -55.79 12.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.44 -43.93 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 20' ' ' TYR . 51.2 mt -82.63 -27.46 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.07 -15.19 55.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.605 HG21 ' CD1' ' A' ' 28' ' ' TYR . 7.1 mt -44.49 165.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -106.41 -31.86 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.605 ' CD1' HG21 ' A' ' 26' ' ' ILE . 12.9 p90 -88.22 164.46 33.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.48 4.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 26' ' ' ILE . 12.1 t -109.03 160.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -99.1 152.21 20.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.4 138.6 21.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 75.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' ' OD1' ' A' ' 17' ' ' ASN . 21.0 m-85 -55.69 -53.37 57.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -65.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -53.5 -33.79 55.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.5 mt -70.21 -24.31 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -78.86 -47.67 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.55 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -120.27 113.53 33.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.68 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.67 51.69 4.61 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.85 -61.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 t -129.15 120.48 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.5 132.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 25.1 mt -118.43 124.35 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -136.85 162.9 31.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.64 -10.46 70.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 55' ' ' PHE . 11.5 mt -48.7 164.7 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.456 1.766 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.48 7.25 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.54 1.811 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.72 -6.5 57.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 19.8 mt -119.99 100.01 48.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.91 10.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.53 88.23 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -147.53 179.59 7.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.34 147.23 98.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.24 19.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.1 p -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 p -75.12 -2.86 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -109.77 164.32 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.36 166.16 14.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p -42.01 -51.92 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -46.79 -54.76 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLU . 56.8 mt -46.97 -61.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -38.0 -33.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 45.5 mtp85 -76.6 -52.73 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 76' ' ' ILE . 20.6 mt -45.65 -63.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 12' ' ' VAL . 48.8 mt -51.28 -25.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -69.18 -54.19 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 25.0 m -91.23 20.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.92 -28.56 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 mmtt -62.01 -50.68 71.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.5 mt -42.45 123.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 30.7 tttt -134.18 120.2 19.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -92.35 150.55 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -124.05 127.45 47.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' CG1' ' CD2' ' A' ' 24' ' ' LEU . 55.4 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' GLN . 26.9 mt -42.84 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -43.95 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -43.73 93.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 31.3 mt-30 -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 HG22 ' CG ' ' A' ' 70' ' ' LEU . 16.4 t -57.59 -47.16 85.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -51.09 -27.64 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 73' ' ' ALA . 49.8 tp -51.95 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -51.3 -44.58 61.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 18.3 m-20 -56.19 -55.07 37.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -57.07 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -39.93 -39.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.536 ' CE2' HD13 ' A' ' 24' ' ' LEU . 4.9 t80 -45.2 -53.23 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -43.45 -35.21 2.73 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.03 -53.45 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.57 -25.96 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 ' CE2' ' A' ' 20' ' ' TYR . 49.7 mt -100.54 -26.21 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.4 60.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.165 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 28' ' ' TYR . 8.2 mt -45.93 165.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.69 -32.94 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CD1' HG21 ' A' ' 26' ' ' ILE . 15.9 p90 -85.97 164.13 40.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.32 6.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' CE1' ' A' ' 28' ' ' TYR . 10.8 t -113.12 159.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -104.28 128.45 52.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.6 t -67.87 139.98 93.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.99 70.28 5.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.74 -39.77 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -57.55 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -54.62 -34.21 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.0 mt -69.19 -30.05 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -74.97 -51.99 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -66.08 -40.88 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -120.23 113.4 33.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.46 12.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.74 3.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -102.28 -74.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 13.1 t -120.57 128.09 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.04 131.9 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 24.7 mt -116.62 122.26 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -135.76 164.44 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.81 -10.45 73.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.3 164.55 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 168.83 23.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.59 7.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.31 -5.96 57.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 15.3 mt -119.89 101.9 47.34 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 179.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -87.1 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.62 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -51.05 141.24 19.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -52.23 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 p -53.79 -26.57 24.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -9.55 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -109.3 157.73 18.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.34 156.41 49.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.8 p -44.83 -47.75 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -53.89 32.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.14 -37.47 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 68' ' ' ARG . 61.8 mt -64.21 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.83 -31.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 39.4 mtp85 -74.58 -55.98 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 76' ' ' ILE . 8.6 mt -46.16 -65.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.476 ' CG ' HG22 ' A' ' 12' ' ' VAL . 57.5 mt -45.84 -28.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -68.32 -56.14 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -90.83 19.85 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -47.33 -28.83 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -40.77 65.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.9 mmtt -62.5 -49.57 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 69' ' ' ILE . 33.5 mt -43.43 124.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -132.81 117.83 18.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.8 m-85 -90.16 151.03 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.2 m -130.7 123.97 30.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 24' ' ' LEU . 49.0 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 63' ' ' SER . 37.8 mt -44.17 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 1.8 ttm105 -38.68 -47.85 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -47.78 82.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' LEU . 10.7 mt-30 -53.05 -59.83 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG21 ' CG ' ' A' ' 70' ' ' LEU . 17.9 t -60.06 -47.64 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -50.65 -24.84 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.06 -38.76 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -48.74 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -41.92 -43.31 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -63.66 -57.22 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.1 -58.43 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -41.14 -50.24 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.552 ' CD2' HD12 ' A' ' 24' ' ' LEU . 6.4 t80 -39.76 -53.8 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -42.01 -36.74 1.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' GLY . 31.4 mt-10 -72.13 -55.63 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.31 -31.1 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 20' ' ' TYR . 47.2 mt -96.58 -27.94 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.63 -12.04 62.92 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -44.07 165.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 4.0 mmtt -106.83 -34.98 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.598 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.9 p90 -83.67 163.81 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -99.28 159.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -106.51 135.18 48.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.505 ' HB ' ' CE1' ' A' ' 34' ' ' TYR . 54.2 t -77.73 129.33 76.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.92 75.49 3.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 21.0 m-30 -55.33 -35.83 65.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -61.91 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -58.26 -29.94 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.9 mt -74.81 -24.31 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -79.61 -56.56 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -42.65 93.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.25 113.58 33.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.18 16.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.64 51.25 3.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -109.93 -74.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 22.7 t -121.1 126.68 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.49 132.56 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 29.5 mt -114.55 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -134.33 166.29 23.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.3 -10.23 75.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.84 164.39 0.36 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.77 6.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.784 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.51 -5.38 57.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.564 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 10.9 mt -119.25 99.97 50.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -84.88 91.23 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -150.49 179.75 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 148.06 98.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -10.94 21.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.7 -39.9 80.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.2 p -73.66 -3.17 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -111.74 168.91 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -113.75 167.92 12.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 52.8 p -38.05 -60.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 109.954 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -43.19 -63.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.432 ' OD1' ' C ' ' A' ' 65' ' ' ASN . 5.4 t-20 -49.2 -41.92 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' ARG . 66.4 mt -62.72 -64.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.06 -32.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 81.1 mtt180 -75.21 -52.68 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.482 HG23 ' CD1' ' A' ' 76' ' ' ILE . 24.2 mt -48.38 -61.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CG ' HG21 ' A' ' 12' ' ' VAL . 50.9 mt -52.29 -25.98 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -65.22 -54.87 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' CG2' ' HD3' ' A' ' 50' ' ' PRO . 26.8 m -90.99 19.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.96 -28.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -73.97 -45.92 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.2 mmtt -61.0 -52.63 64.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' HG23 ' A' ' 69' ' ' ILE . 61.3 mt -39.54 120.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -131.03 127.63 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -96.77 150.54 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.7 m -122.87 134.95 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 24' ' ' LEU . 81.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.4 mt -42.72 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.88 -45.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.37 -46.73 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.9 mt-30 -52.9 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG23 ' CG ' ' A' ' 70' ' ' LEU . 21.8 t -54.95 -48.74 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.06 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -40.61 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 51.5 tp -46.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -49.36 -42.15 41.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -59.85 -39.31 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -59.09 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -44.96 -40.25 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' CG ' HG22 ' A' ' 32' ' ' VAL . 31.4 t80 -52.95 -55.98 19.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.57 -39.61 10.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -63.28 -49.63 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.11 -23.1 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD21 ' CG1' ' A' ' 80' ' ' VAL . 42.6 mt -100.88 -24.75 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 100.07 -15.26 59.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.583 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.2 mt -48.71 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 0.79 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 6.6 mmtp -111.28 -32.77 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.583 ' CE1' HG21 ' A' ' 26' ' ' ILE . 19.0 p90 -83.82 163.6 48.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 26' ' ' ILE . 10.7 t -96.75 159.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -102.71 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG22 ' CG ' ' A' ' 20' ' ' TYR . 77.6 t -58.72 133.51 86.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.04 74.21 4.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -54.09 -43.48 70.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -38.51 50.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.81 -27.59 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.59 -53.72 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -42.48 92.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -120.16 113.71 33.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.04 18.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.85 49.73 3.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.5 t -110.99 -74.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' A' ' 78' ' ' PHE . 9.7 t -122.32 116.2 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -87.65 127.65 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 18.3 mt -111.45 118.74 58.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -133.75 163.94 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.51 72.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.48 164.56 0.32 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 123.0 7.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 -6.55 57.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -119.85 100.17 48.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.8 8.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.05 89.94 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -150.67 179.69 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -67.13 147.41 99.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -10.85 21.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -68.83 -19.65 64.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 p -95.58 -7.42 37.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -105.18 148.21 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.03 164.9 34.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 p -41.79 -47.25 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -59.66 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -51.42 -38.81 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ARG . 70.8 mt -63.92 -63.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -37.67 -32.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 52.1 mtp180 -73.76 -57.3 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.481 HG21 ' CD1' ' A' ' 76' ' ' ILE . 5.1 mt -43.58 -63.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 ' CG ' HG23 ' A' ' 12' ' ' VAL . 51.1 mt -49.52 -29.94 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -64.73 -54.53 30.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' LYS . 29.4 m -91.83 21.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 15' ' ' LEU . . . -47.97 -27.8 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -43.11 59.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.6 mmtt -60.84 -50.76 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 69' ' ' ILE . 47.8 mt -42.13 122.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -131.55 128.87 40.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.4 m-85 -99.63 151.73 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -121.61 132.2 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.451 ' CG1' HD21 ' A' ' 24' ' ' LEU . 72.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.2 mt -41.36 -70.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 1.9 ttm105 -42.93 -41.3 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -39.28 85.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.3 mt-30 -58.99 -62.0 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.484 HG23 ' CG ' ' A' ' 70' ' ' LEU . 11.4 t -57.41 -45.43 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.35 -26.01 11.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.91 -39.04 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -48.23 -71.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -42.97 -48.39 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -57.14 -54.38 47.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -50.4 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -47.6 -46.5 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 24' ' ' LEU . 4.1 t80 -45.83 -57.22 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.78 -36.22 1.06 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -75.84 -52.19 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -22.77 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 20' ' ' TYR . 43.9 mt -103.12 -28.35 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.09 -12.63 57.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.135 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.58 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.8 mt -48.9 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.5 mttt -109.49 -32.95 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.58 ' CE1' HG22 ' A' ' 26' ' ' ILE . 18.4 p90 -84.71 164.2 43.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.95 5.44 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 28' ' ' TYR . 10.5 t -107.6 158.37 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -103.97 121.48 43.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 20' ' ' TYR . 53.3 t -69.85 139.17 88.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 72.3 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.812 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -54.02 -55.68 25.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -64.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -33.77 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.7 mt -70.28 -25.18 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -79.83 -37.52 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -41.26 29.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -120.23 113.47 33.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.58 20.64 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.534 1.808 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.37 48.54 2.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -65.1 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 0.722 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 78' ' ' PHE . 17.5 t -129.74 117.81 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mt -88.12 132.12 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.579 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 23.6 mt -116.61 123.86 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -137.0 162.73 32.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.36 71.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.43 165.04 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 169.01 23.56 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.47 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.48 -5.22 57.03 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -119.69 101.02 48.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 179.91 5.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -89.06 88.69 7.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -148.09 179.76 7.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -50.3 134.46 24.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -47.6 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.0 p -58.86 -21.98 58.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -74.55 -10.77 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.16 175.62 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.1 163.09 26.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 p -45.44 -57.17 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.66 -58.41 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 65' ' ' ASN . 4.3 t-20 -50.66 -41.37 55.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ILE . 73.7 mt -63.59 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.94 -32.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 62.0 mtp85 -74.23 -52.42 12.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 76' ' ' ILE . 20.0 mt -47.29 -63.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.484 ' CG ' HG23 ' A' ' 12' ' ' VAL . 47.2 mt -51.03 -28.01 9.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -62.51 -52.56 62.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' CG2' ' HD3' ' A' ' 50' ' ' PRO . 24.6 m -94.7 20.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.74 -28.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -71.99 -49.08 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.3 mmtt -56.02 -52.12 65.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 69' ' ' ILE . 38.0 mt -40.22 124.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -136.04 123.38 21.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.579 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.4 m-85 -94.07 151.9 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.3 m -125.28 137.85 54.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 24' ' ' LEU . 43.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.9 mt -40.55 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.51 -39.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -43.79 80.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' LEU . 15.8 mt-30 -54.19 -60.24 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 70' ' ' LEU . 29.9 t -58.79 -53.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -44.66 -25.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 -43.58 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 54.2 tp -42.77 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.3 -34.7 16.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -65.1 -52.82 53.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -56.45 18.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -40.71 -34.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -55.97 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.01 -33.24 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -76.44 -51.3 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -23.52 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 20' ' ' TYR . 47.1 mt -102.45 -25.46 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 102.93 -20.48 43.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.578 HG22 ' CD1' ' A' ' 28' ' ' TYR . 8.6 mt -45.03 164.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -109.1 -31.58 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.578 ' CD1' HG22 ' A' ' 26' ' ' ILE . 13.3 p90 -87.61 164.16 35.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' CD1' ' A' ' 28' ' ' TYR . 10.8 t -110.26 159.56 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -84.82 156.27 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.4 t -112.15 133.38 21.71 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 71.43 5.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' LYS . 38.7 m-85 -55.53 -52.94 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 2.9 tmtt? -48.57 -67.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -52.39 -33.43 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.84 -22.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -80.58 -37.73 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -79.57 -44.21 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -120.28 113.48 33.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.86 14.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.56 -24.97 71.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.78 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.428 HG12 ' CD2' ' A' ' 78' ' ' PHE . 9.6 t -127.44 119.88 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -87.92 127.69 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.672 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 18.6 mt -113.69 123.14 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -137.23 164.37 28.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.26 -10.34 73.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.74 164.82 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.02 23.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 123.57 7.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.42 -6.61 57.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.587 1.179 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.564 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 17.8 mt -120.01 101.36 47.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.05 7.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.44 91.16 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -151.17 178.4 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.69 149.86 91.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.62 19.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.0 t -62.05 -26.79 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.0 p -90.65 -0.18 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -111.73 132.45 54.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.19 164.0 54.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 p -43.52 -39.72 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.96 13.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -54.29 -38.86 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' ILE . 76.2 mt -63.31 -64.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -38.55 -32.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 1.2 mtt-85 -73.47 -50.57 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 76' ' ' ILE . 11.2 mt -50.82 -65.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.486 ' CG ' HG23 ' A' ' 12' ' ' VAL . 51.4 mt -46.43 -25.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -67.02 -56.68 9.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 21.9 m -91.51 19.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 15' ' ' LEU . . . -45.26 -28.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -72.86 -45.82 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.0 mmtt -57.74 -51.03 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 69' ' ' ILE . 37.3 mt -40.22 126.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.5 tttt -135.11 121.07 19.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.672 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.5 m-85 -94.15 150.63 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -126.67 123.04 36.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.4 mt -39.99 -66.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 2.0 ttp-105 -41.88 -43.95 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.59 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 35.4 mt-30 -56.18 -58.37 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG23 ' CD2' ' A' ' 70' ' ' LEU . 20.2 t -60.82 -50.45 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -25.51 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.41 -37.76 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 28.7 tp -50.65 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -46.51 -34.07 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 3.2 m-20 -68.63 -58.64 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -53.19 -54.85 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -42.59 -42.62 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.524 ' CD2' HD13 ' A' ' 24' ' ' LEU . 5.8 t80 -46.48 -55.16 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -40.13 -38.72 1.35 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.26 -52.73 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.25 -31.12 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 20' ' ' TYR . 42.2 mt -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.06 -18.91 44.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.5 mt -46.89 165.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.2 mmtp -107.99 -33.7 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.585 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.3 p90 -84.73 164.17 43.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 28' ' ' TYR . 10.0 t -112.04 159.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.17 157.18 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' A' ' 20' ' ' TYR . 59.9 t -109.2 135.94 20.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.05 75.65 3.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 5.6 m-30 -57.11 -60.6 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -42.53 -65.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -52.05 -35.94 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.5 mt -71.2 -22.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -81.73 -46.25 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -45.04 50.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -120.23 113.37 33.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.05 15.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.59 -24.92 73.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -41.06 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 0.784 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.7 t -133.05 121.55 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.65 132.04 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 26.5 mt -116.26 125.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.2 mm-40 -138.68 164.0 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.19 -10.62 73.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -48.54 164.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 169.44 22.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 122.88 7.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.65 -6.71 57.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 21.9 mt -119.99 100.4 48.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.49 9.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.6 92.12 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -152.07 177.91 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' CG ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -63.93 150.98 90.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.0 -20.37 16.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.803 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.5 -42.35 96.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.8 p -69.62 -10.67 59.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.1 m-30 -101.05 147.09 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.1 166.42 33.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 p -42.82 -44.26 4.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -59.58 -57.04 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 14.4 m-20 -52.67 -37.68 59.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 63.6 mt -63.49 -65.04 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.33 -32.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 9.2 mtp180 -73.48 -53.77 9.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.488 HD11 ' CD2' ' A' ' 61' ' ' PHE . 5.4 mt -49.3 -66.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.491 ' CD2' HG23 ' A' ' 12' ' ' VAL . 50.9 mt -45.1 -27.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -66.83 -54.95 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LYS . 28.0 m -93.87 18.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 15' ' ' LEU . . . -44.39 -28.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -72.68 -47.42 47.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.9 mmtt -55.4 -50.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.485 ' CD1' HG23 ' A' ' 69' ' ' ILE . 36.2 mt -40.92 124.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.8 ttmt -133.91 122.2 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.5 m-85 -93.92 150.38 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -126.56 116.88 21.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . 36.8 mt -39.88 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -42.2 -42.28 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -39.69 86.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LEU . 33.6 mt-30 -53.36 -57.54 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG2' HD23 ' A' ' 70' ' ' LEU . 60.2 t -64.31 -54.91 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -28.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.31 -39.55 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 73' ' ' ALA . 30.0 tp -48.39 -71.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -45.03 -35.13 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 8.5 m-20 -68.89 -61.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -56.05 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -41.61 -44.53 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.56 ' CD2' HD12 ' A' ' 24' ' ' LEU . 3.6 t80 -44.18 -53.88 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -38.57 -32.57 0.16 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.43 -53.2 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -30.61 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 20' ' ' TYR . 63.2 mt -97.4 -25.47 15.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 96.47 -12.05 66.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.588 HG22 ' CD1' ' A' ' 28' ' ' TYR . 7.8 mt -47.52 165.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmtp -107.52 -32.68 7.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.588 ' CD1' HG22 ' A' ' 26' ' ' ILE . 15.3 p90 -86.53 164.05 39.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.31 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.48 HG23 ' CE1' ' A' ' 28' ' ' TYR . 10.8 t -103.39 161.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -105.85 125.25 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.417 ' HB ' ' CE1' ' A' ' 34' ' ' TYR . 74.5 t -65.34 138.1 96.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 70.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 30.6 m-85 -53.99 -45.05 71.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -64.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -53.43 -36.04 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 mt -68.52 -27.35 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -58.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -41.34 86.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -120.18 113.4 34.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -16.5 20.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.39 45.28 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.69 -80.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 19.9 t -113.73 124.97 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -91.61 133.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.684 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 25.0 mt -117.05 127.26 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.24 164.56 29.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.59 -10.44 74.08 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.05 164.53 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 169.05 23.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.88 7.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.62 -5.76 57.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 22.8 mt -119.87 101.54 47.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.75 8.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.86 87.58 7.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.72 179.87 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -64.65 147.08 98.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -13.19 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.67 -36.2 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -78.64 -1.76 35.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -109.65 154.54 22.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -100.54 162.66 18.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' GLY . 35.8 p -39.19 -43.38 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -56.95 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.66 -37.85 76.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' ARG . 54.6 mt -64.42 -63.5 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.38 -33.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 13.0 mtp85 -73.74 -53.82 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.478 HG23 ' CD1' ' A' ' 76' ' ' ILE . 4.4 mt -48.64 -59.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD23 ' CG2' ' A' ' 12' ' ' VAL . 56.4 mt -50.17 -23.62 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -72.19 -56.94 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.19 21.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 15' ' ' LEU . . . -49.88 -26.3 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -41.42 44.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -61.33 -50.31 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 69' ' ' ILE . 31.8 mt -40.96 123.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -131.8 123.22 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -95.25 151.93 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.9 m -125.52 132.9 52.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 24' ' ' LEU . 69.3 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.0 mt -40.76 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.71 -44.66 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -42.69 95.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.9 mt-30 -55.86 -60.85 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG21 ' CG ' ' A' ' 70' ' ' LEU . 20.4 t -56.57 -50.87 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.66 -29.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.15 -43.73 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 47.8 tp -46.4 -71.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -40.37 -43.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 4.0 m-20 -63.75 -61.97 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -48.9 -52.35 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -46.08 -47.15 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 24' ' ' LEU . 4.6 t80 -42.51 -56.14 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.9 -42.72 1.58 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.9 mt-10 -68.54 -54.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.734 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.64 -26.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 20' ' ' TYR . 42.2 mt -100.61 -27.98 13.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.34 -16.56 52.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.612 HG23 ' CD1' ' A' ' 28' ' ' TYR . 6.9 mt -45.43 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 mttt -105.28 -31.8 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.612 ' CD1' HG23 ' A' ' 26' ' ' ILE . 12.1 p90 -89.62 164.18 30.26 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 125.63 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 t -115.66 158.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -89.27 155.4 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 67.1 t -100.15 138.21 20.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.02 74.09 4.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.57 -50.81 67.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.7 mttt -51.19 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -52.4 -31.95 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 mt -73.62 -21.58 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -86.87 -57.53 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.46 97.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.15 113.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.1 48.02 3.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -104.25 -72.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 19.4 t -124.01 125.28 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.43 134.65 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 21.9 mt -118.22 128.59 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' LYS . 8.5 mm-40 -141.15 164.38 30.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.85 -10.21 74.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.54 164.53 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.03 168.98 23.62 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.439 1.757 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.83 7.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.76 -6.13 56.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.9 mt -119.9 99.28 49.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.55 18.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -76.71 83.73 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.36 178.9 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.36 140.06 25.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 24.9 p -55.32 -22.19 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -9.48 58.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 15.9 m-85 -106.5 154.74 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.41 159.87 53.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.7 p -46.18 -53.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.991 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.39 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 38.7 m-80 -56.26 -38.78 71.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ARG . 72.3 mt -63.98 -63.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mt-10 -37.3 -32.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 46.6 mtp85 -73.46 -55.65 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.481 HG21 ' CD1' ' A' ' 76' ' ' ILE . 11.4 mt -45.44 -65.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' CG ' HG21 ' A' ' 12' ' ' VAL . 51.7 mt -47.61 -28.38 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -66.91 -55.24 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -91.28 20.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.44 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -48.45 -27.62 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.7 mmtt -63.3 -48.29 78.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 69' ' ' ILE . 42.9 mt -43.71 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' GLU . 27.5 tttm -134.58 121.17 20.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -93.6 151.27 19.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -125.0 131.04 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 24' ' ' LEU . 68.1 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD12 ' CB ' ' A' ' 63' ' ' SER . 26.0 mt -41.45 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 8.5 ttp-105 -39.15 -54.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -51.08 58.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.9 -57.26 8.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 70' ' ' LEU . 46.6 t -60.59 -56.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -39.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.34 -41.64 32.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' VAL . 47.5 tp -48.6 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -40.06 -44.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.79 -58.46 6.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -53.75 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -43.62 -52.42 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.56 ' CE2' HD11 ' A' ' 24' ' ' LEU . 5.7 t80 -39.43 -58.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -37.72 -36.69 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.4 -53.13 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.25 -33.97 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD11 ' CE2' ' A' ' 20' ' ' TYR . 51.5 mt -93.49 -27.55 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.1 -14.24 55.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.586 HG22 ' CE1' ' A' ' 28' ' ' TYR . 8.9 mt -47.89 165.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -108.35 -32.05 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.586 ' CE1' HG22 ' A' ' 26' ' ' ILE . 16.5 p90 -86.66 164.07 38.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.47 4.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 28' ' ' TYR . 10.8 t -106.51 158.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -83.3 158.67 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 20' ' ' TYR . 73.7 t -114.32 130.38 24.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.29 3.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' LYS . 4.4 m-30 -55.65 -59.62 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -66.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -50.9 -37.77 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 mt -68.03 -26.91 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -78.83 -48.33 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.71 -45.02 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -120.19 113.48 33.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.56 5.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.3 28.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -46.87 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.8 t -125.84 123.48 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.47 130.63 41.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.615 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 28.3 mt -115.79 126.49 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.48 165.65 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.84 -10.38 74.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.97 164.36 0.29 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 169.29 22.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.94 7.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -5.89 57.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.93 101.4 47.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.96 90.41 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -151.65 -178.62 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.535 ' CG ' ' CG2' ' A' ' 60' ' ' THR . 17.1 ptpt -66.49 155.75 87.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.11 9.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.9 -17.36 38.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.535 ' CG2' ' CG ' ' A' ' 57' ' ' LYS . 3.2 p -88.98 -8.73 53.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE1' ' OG1' ' A' ' 60' ' ' THR . 6.2 m-85 -116.06 160.13 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.05 171.94 21.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.448 ' CB ' HD12 ' A' ' 8' ' ' LEU . 3.8 p -42.09 -58.09 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.73 -60.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.452 ' CA ' HD11 ' A' ' 53' ' ' ILE . 25.5 m-20 -51.93 -57.92 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 67' ' ' GLU . 60.1 mt -44.36 -60.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.51 -34.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 56.0 mtt180 -75.59 -55.93 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 76' ' ' ILE . 7.9 mt -42.75 -67.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 12' ' ' VAL . 49.6 mt -46.57 -28.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -70.37 -53.69 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.2 m -90.32 19.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -46.5 -27.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -43.19 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.8 mmtt -59.12 -51.35 70.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.49 ' CD1' HG21 ' A' ' 69' ' ' ILE . 27.0 mt -42.96 118.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -129.1 122.32 29.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.6 m-85 -93.77 151.49 19.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.3 m -130.14 122.19 27.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG12 ' CD2' ' A' ' 24' ' ' LEU . 14.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.6 mt -48.79 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -52.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.5 -49.69 69.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.09 -56.12 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG23 ' CD2' ' A' ' 70' ' ' LEU . 62.0 t -64.61 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -44.76 -25.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -93.65 -36.12 12.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' VAL . 42.0 tp -51.96 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -46.27 -35.27 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 60.2 m-20 -68.3 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -53.46 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -41.64 -48.73 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 24' ' ' LEU . 4.8 t80 -37.82 -59.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.49 -38.24 0.62 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.12 -53.43 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.47 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 20' ' ' TYR . 53.2 mt -102.57 -25.2 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 97.78 -13.31 63.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.582 HG22 ' CE1' ' A' ' 28' ' ' TYR . 8.8 mt -47.98 165.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.89 -34.26 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE1' HG22 ' A' ' 26' ' ' ILE . 16.9 p90 -83.78 163.86 47.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.11 11.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -121.94 157.84 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -103.27 130.99 50.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 20' ' ' TYR . 73.9 t -69.81 139.42 88.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.98 73.82 4.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -55.17 -42.15 72.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -66.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -54.38 -32.77 57.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.2 mt -70.98 -28.43 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.96 25.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -41.16 74.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -120.16 113.56 33.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.12 17.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.74 43.66 2.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.76 -76.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.479 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 17.0 t -118.9 126.53 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mt -92.75 133.35 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.683 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 21.5 mt -117.0 128.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.9 mm-40 -140.13 164.34 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.62 -10.73 73.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.04 164.43 0.3 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.63 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.55 -7.57 57.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.143 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 17.4 mt -119.99 99.9 48.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.32 8.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -79.86 90.7 5.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -151.84 178.58 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.87 151.94 84.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.42 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.4 Cg_endo -74.98 -15.43 20.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.7 p -65.92 -33.15 75.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.6 p -79.16 -2.29 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.424 ' CD2' HD13 ' A' ' 69' ' ' ILE . 13.2 m-30 -111.68 153.99 25.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.73 164.29 20.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 p -40.85 -47.77 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.985 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -53.91 -59.25 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CA ' HD12 ' A' ' 53' ' ' ILE . 8.4 m-20 -51.29 -45.68 62.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 68' ' ' ARG . 46.2 mt -55.94 -60.99 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.49 -32.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 87.1 mtt180 -77.26 -54.93 5.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 76' ' ' ILE . 5.4 mt -44.67 -63.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 12' ' ' VAL . 43.9 mt -50.83 -25.67 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -70.42 -53.14 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.4 m -93.21 19.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -49.0 -28.4 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -38.75 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.4 mmtt -64.66 -50.24 67.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 69' ' ' ILE . 42.4 mt -40.61 126.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.6 tttp -136.63 118.97 15.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.683 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.9 m-85 -90.24 151.91 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -129.87 118.86 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 35.9 mt -43.01 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -46.93 -34.37 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.51 -33.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.2 mt-30 -65.14 -62.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 70' ' ' LEU . 12.5 t -55.41 -45.6 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -29.03 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.77 -38.93 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 46.0 tp -53.94 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CD2' ' HG3' ' A' ' 58' ' ' PRO . 5.8 m-30 -44.95 -32.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -54.93 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -53.82 53.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -42.0 -51.97 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CD2' HD12 ' A' ' 24' ' ' LEU . 6.9 t80 -44.09 -56.61 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.4 -36.39 0.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -71.53 -55.32 8.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.33 -25.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 20' ' ' TYR . 58.8 mt -100.88 -29.08 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.02 -18.91 45.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.58 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.3 mt -44.62 165.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -107.63 -34.03 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.58 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.9 p90 -84.51 163.37 47.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.17 3.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.6 t -97.27 162.66 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 158.18 17.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -109.51 122.61 38.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 82.15 2.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.19 -47.55 85.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -50.2 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -53.62 -29.61 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.21 -21.57 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -56.12 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.0 m -58.51 -40.38 82.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.12 113.48 34.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -18.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.8 38.76 3.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.72 -76.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -121.81 120.98 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -89.52 126.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.647 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 20.4 mt -112.36 121.53 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 77' ' ' LYS . 19.6 mm-40 -136.05 164.33 28.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.98 -10.38 73.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -49.58 164.29 0.34 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.94 169.21 23.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.75 8.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -7.23 57.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 17.5 mt -119.81 100.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.97 178.43 7.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.43 91.25 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -150.9 -179.13 7.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' CB ' ' HB ' ' A' ' 60' ' ' THR . 32.5 mttt -51.0 139.35 23.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HG3' ' CD2' ' A' ' 16' ' ' PHE . 18.3 Cg_endo -74.97 -57.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.764 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 9' ' ' ARG . 30.3 p -54.82 -22.1 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.439 ' HB ' ' CB ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -69.98 -7.86 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.355 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.462 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 19.2 m-85 -108.45 165.68 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.31 159.31 40.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -51.6 35.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 7.2 m-20 -58.47 -38.65 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ILE . 66.2 mt -62.64 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.69 -32.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -73.47 -50.09 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 76' ' ' ILE . 18.3 mt -51.37 -68.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.486 ' CG ' HG23 ' A' ' 12' ' ' VAL . 52.9 mt -44.39 -26.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -65.55 -57.09 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' LYS . 31.4 m -91.63 20.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.445 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -46.53 -28.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -44.61 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.5 mmtt -59.83 -51.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 69' ' ' ILE . 29.3 mt -40.7 121.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 59.2 tttt -131.08 129.98 42.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.647 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.4 m-85 -102.16 150.56 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -124.9 140.96 52.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 24' ' ' LEU . 67.7 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' GLN . 57.9 mt -45.09 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.78 -36.84 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.55 -40.98 80.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . 7.2 mt-30 -56.23 -62.18 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG23 ' CG ' ' A' ' 70' ' ' LEU . 29.8 t -53.76 -54.37 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -26.92 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -91.43 -43.98 9.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -45.12 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.4 m-85 -50.3 -46.56 55.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.94 -40.64 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -72.53 -60.88 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -43.34 -42.2 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.492 ' CG ' HG22 ' A' ' 32' ' ' VAL . 13.8 t80 -47.93 -59.19 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.9 -41.31 13.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -62.41 -48.88 77.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.05 -15.47 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' CG2' ' A' ' 80' ' ' VAL . 46.2 mt -106.25 -12.9 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 91.95 -29.18 7.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 28' ' ' TYR . 9.5 mt -44.91 165.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.2 mtmt -111.01 -35.06 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CE1' HG23 ' A' ' 26' ' ' ILE . 20.6 p90 -81.13 163.46 55.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.1 t -97.64 159.67 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.09 135.0 34.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.501 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.0 t -95.2 117.37 66.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 77.55 3.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 56.5 m-85 -58.7 -43.67 90.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -56.27 -34.35 66.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 17.0 mt -70.86 -27.97 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -74.01 -53.68 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -66.91 -40.34 87.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -120.21 113.53 33.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.5 10.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -40.25 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 37' ' ' ILE . 10.3 t -132.74 120.06 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mt -94.39 128.36 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 27.6 mt -110.77 123.79 66.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.6 mm-40 -136.19 162.77 32.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.7 68.42 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.27 164.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 168.59 24.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.26 7.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.65 57.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 16.2 mt -120.07 100.62 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -81.55 87.27 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -142.7 179.66 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 146.96 92.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -74.97 -8.16 19.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.67 -35.59 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -76.57 -4.85 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.469 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.0 m-30 -103.29 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -109.08 159.71 13.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.6 p -39.34 -46.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 110.048 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -58.59 7.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -54.9 -38.76 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.337 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' ILE . 78.9 mt -62.17 -64.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.73 -31.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 1.0 OUTLIER -75.05 -49.85 18.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 76' ' ' ILE . 8.3 mt -49.92 -64.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 ' CG ' HG23 ' A' ' 12' ' ' VAL . 45.7 mt -48.99 -26.49 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -63.92 -56.07 17.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 50' ' ' PRO . 27.3 m -91.17 20.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.42 -27.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -47.92 36.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ILE . 9.3 mmtt -56.18 -51.31 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.491 ' CD1' HG23 ' A' ' 69' ' ' ILE . 41.8 mt -39.87 127.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.5 tttt -138.83 123.42 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.6 m-85 -92.84 151.31 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.8 m -122.22 130.04 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 ' CG2' HD23 ' A' ' 24' ' ' LEU . 69.6 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.9 mt -42.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.63 -39.27 1.03 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -44.93 77.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 21.0 mt-30 -52.56 -60.37 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 70' ' ' LEU . 7.7 t -57.94 -45.53 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -48.95 -29.84 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.57 -38.72 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 tp -51.36 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -43.7 -36.56 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -69.08 -55.22 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.17 -54.49 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 18.0 mmtt -40.27 -43.81 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.568 ' CD2' HD13 ' A' ' 24' ' ' LEU . 5.2 t80 -50.79 -57.33 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.22 -36.22 0.54 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.8 mt-10 -70.56 -56.44 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.726 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.83 -36.56 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 20' ' ' TYR . 49.1 mt -89.98 -28.6 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 99.92 -11.45 60.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 28' ' ' TYR . 7.4 mt -44.91 165.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmpt? -107.03 -32.67 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 26' ' ' ILE . 15.8 p90 -86.71 164.14 38.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.4 t -107.5 160.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.62 148.15 24.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 54.6 t -89.01 136.73 30.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.98 73.28 4.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -54.88 -35.29 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -62.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -56.95 -27.19 60.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 mt -77.7 -21.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.94 -55.88 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -61.0 -41.93 97.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.962 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -120.14 113.44 34.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.01 12.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.3 46.88 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.0 m -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.457 HG11 ' CD2' ' A' ' 78' ' ' PHE . 11.7 t -118.09 120.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -88.31 128.19 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.667 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 18.7 mt -114.36 118.89 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -134.28 164.11 28.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.72 70.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 55' ' ' PHE . 11.7 mt -48.49 164.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.53 -6.29 57.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -119.8 99.59 49.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.57 0.806 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.75 17.71 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.511 1.796 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.06 85.53 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -144.96 179.6 7.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.38 141.71 15.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.403 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.97 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.57 -26.13 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -68.56 -13.33 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.2 m-85 -105.09 144.37 31.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 161.8 34.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 p -47.83 -50.08 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -51.91 43.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 31.9 m-80 -59.08 -37.87 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ARG . 83.9 mt -63.87 -63.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -36.95 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 52.8 mtp85 -73.67 -54.32 8.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 76' ' ' ILE . 16.2 mt -45.69 -66.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' CG ' HG21 ' A' ' 12' ' ' VAL . 60.1 mt -46.75 -29.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -65.83 -54.85 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.3 m -91.54 20.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.76 -27.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.51 -43.08 60.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.9 mmtt -60.09 -51.7 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CD1' HG22 ' A' ' 69' ' ' ILE . 24.3 mt -41.08 122.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 31.1 tttt -131.71 123.86 28.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.667 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.5 m-85 -96.9 149.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 m -123.97 144.64 49.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 28.0 mt -40.4 -70.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -40.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -44.2 84.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 12.2 mt-30 -53.54 -60.06 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 HG23 ' CG ' ' A' ' 70' ' ' LEU . 21.8 t -57.48 -51.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -29.67 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -89.47 -33.97 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 52.3 tp -55.22 -71.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -48.86 -31.98 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 7.8 m-20 -70.05 -59.92 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.59 -55.28 31.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 26.9 mmtt -40.24 -43.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 24' ' ' LEU . 3.7 t80 -47.68 -57.87 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -39.02 -36.03 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . 66.1 mt-10 -75.47 -55.49 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -31.64 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 20' ' ' TYR . 28.4 mt -94.64 -29.08 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 102.44 -13.91 56.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.579 HG22 ' CD1' ' A' ' 28' ' ' TYR . 7.8 mt -45.99 165.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.64 -33.48 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.579 ' CD1' HG22 ' A' ' 26' ' ' ILE . 15.7 p90 -85.39 164.46 40.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 28' ' ' TYR . 11.0 t -108.0 161.25 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -107.65 133.55 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.0 t -73.43 136.0 78.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 72.49 4.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -53.79 -54.43 38.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -45.43 -66.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -53.32 -31.28 43.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 mt -72.38 -23.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -79.37 -47.63 15.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 m -66.9 -43.65 82.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -120.17 113.33 34.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.54 14.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.417 1.746 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.51 43.29 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.68 -72.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.4 t -121.0 120.41 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -88.2 134.09 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -120.12 128.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -141.75 161.94 36.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.03 -10.73 69.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -47.64 164.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 168.84 23.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.92 6.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.88 -4.88 56.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 18.1 mt -119.86 102.04 47.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.87 12.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -79.35 83.88 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -144.12 -179.78 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -68.22 149.88 97.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.08 -11.44 21.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.89 -43.81 97.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 p -75.93 -2.24 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.2 m-30 -103.43 154.32 19.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.11 164.8 18.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 p -45.62 -39.09 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -53.99 47.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.47 ' CA ' HD13 ' A' ' 53' ' ' ILE . 4.4 m-20 -60.57 -39.26 87.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' ARG . 70.9 mt -62.24 -63.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -36.9 -34.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 1.6 mtp85 -74.09 -54.71 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 76' ' ' ILE . 4.0 mt -44.75 -66.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CG ' HG23 ' A' ' 12' ' ' VAL . 50.5 mt -46.6 -28.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -67.61 -53.75 25.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 75' ' ' LYS . 19.5 m -91.81 20.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.461 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -48.45 -27.13 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -40.62 60.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 mmtt -62.32 -50.01 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 69' ' ' ILE . 41.5 mt -43.01 129.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.4 tttm -138.56 117.86 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.6 m-85 -90.9 151.52 21.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.6 m -124.36 127.16 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 24' ' ' LEU . 70.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 mt -40.71 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.1 ttm105 -39.04 -46.54 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.43 -44.86 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -52.04 -58.85 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' CG ' ' A' ' 70' ' ' LEU . 12.3 t -60.15 -44.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -24.71 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -93.88 -41.49 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 57.4 tp -47.06 -71.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -45.79 -48.35 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -56.58 -37.72 70.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.75 -62.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -43.59 -41.26 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.477 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 33.1 t80 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -37.37 -40.51 0.64 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 47.9 mt-10 -65.32 -52.94 50.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.7 -26.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 59.2 mt -99.56 -30.52 12.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 108.64 -21.26 28.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.1 mt -45.13 165.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -109.7 -36.34 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.8 p90 -80.25 163.76 55.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.14 3.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 28' ' ' TYR . 9.6 t -98.68 158.54 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.2 109.72 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG22 ' CG ' ' A' ' 20' ' ' TYR . 76.3 t -55.67 140.56 66.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.04 70.1 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -54.8 -55.77 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -29.95 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 mt -72.49 -22.4 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -85.05 -53.2 5.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -63.64 -43.93 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -120.14 113.49 34.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.09 20.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.62 50.29 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -110.03 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.5 t -120.89 120.06 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.09 133.85 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 19.6 mt -116.73 127.1 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.84 166.17 24.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.77 -10.81 73.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -49.13 164.1 0.32 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 168.96 23.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.41 -6.28 57.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.2 mt -119.52 99.41 49.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 170.48 20.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.53 86.61 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.5 mmt-85 -145.86 -179.9 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -51.09 141.0 20.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.415 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.05 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.768 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.408 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 7.6 p -53.54 -25.75 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -6.89 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.5 m-85 -113.19 153.05 28.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.84 164.22 53.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 p -49.74 -46.02 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -53.17 -55.09 26.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 2.3 m120 -56.06 -37.67 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ARG . 80.3 mt -64.87 -63.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.43 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 90.7 mtt180 -74.27 -52.7 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 76' ' ' ILE . 17.1 mt -48.36 -63.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.487 ' CG ' HG22 ' A' ' 12' ' ' VAL . 55.9 mt -49.66 -24.68 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -69.74 -56.15 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' LYS . 27.8 m -90.17 18.04 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB1' ' CD2' ' A' ' 15' ' ' LEU . . . -45.57 -27.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -71.18 -45.76 62.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.3 mptt -61.86 -50.86 70.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 69' ' ' ILE . 55.1 mt -39.78 116.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -129.1 128.22 43.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -97.96 150.53 21.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.5 m -122.48 134.14 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.404 ' CG1' HD22 ' A' ' 24' ' ' LEU . 78.3 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 22.4 mt -42.37 -71.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.45 -47.54 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.4 mt-30 -54.27 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 70' ' ' LEU . 39.9 t -56.1 -55.62 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.46 -38.69 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -79.62 -36.19 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' VAL . 45.4 tp -54.48 -71.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -41.96 -35.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 86.8 m-20 -72.45 -59.92 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 -58.42 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -41.51 -49.31 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 24' ' ' LEU . 3.2 t80 -39.31 -54.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.33 -33.34 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.84 -54.02 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 0.741 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 20' ' ' TYR . 52.4 mt -78.75 -24.55 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.13 69.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.596 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -43.92 165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 tttp -105.42 -35.17 7.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.596 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.1 p90 -84.37 163.9 45.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 114.66 4.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' CD1' ' A' ' 28' ' ' TYR . 11.1 t -101.99 160.19 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -106.6 131.12 54.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -71.25 134.31 85.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 72.48 4.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -54.87 -48.15 73.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.38 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.89 -30.17 61.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.5 mt -73.24 -27.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -46.79 21.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -42.69 73.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.11 113.39 34.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.75 7.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.74 48.5 4.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 p -108.37 -71.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.6 t -118.82 126.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.48 130.81 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 22.7 mt -114.34 129.83 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.45 165.15 28.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.65 -10.39 74.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.4 mt -49.1 163.72 0.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.06 169.93 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.7 56.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -119.8 99.35 49.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 175.47 11.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.52 85.6 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.93 178.66 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -65.86 150.4 96.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.69 20.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.0 p -66.43 -39.72 89.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.5 p -72.64 -8.17 53.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CD2' HD12 ' A' ' 69' ' ' ILE . 18.4 m-30 -102.82 162.77 12.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.29 166.4 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 p -42.95 -47.36 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -63.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.419 ' CA ' HD12 ' A' ' 53' ' ' ILE . 3.0 m-20 -49.73 -55.32 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 67' ' ' GLU . 57.7 mt -45.9 -62.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -36.7 -34.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 26.3 mtt85 -77.33 -52.8 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.515 HD12 ' CD2' ' A' ' 61' ' ' PHE . 19.5 mt -44.18 -62.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 12' ' ' VAL . 41.1 mt -52.61 -26.73 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -67.59 -54.74 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' CG2' ' HD3' ' A' ' 50' ' ' PRO . 29.8 m -88.06 15.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.79 -27.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -72.29 -49.28 35.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 mptt -60.77 -53.43 57.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG12 ' CD2' ' A' ' 49' ' ' LEU . 19.2 mt -38.6 109.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -123.6 129.95 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.8 m-85 -98.92 151.17 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.6 m -121.84 126.62 49.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.462 ' CG1' ' CD2' ' A' ' 24' ' ' LEU . 74.5 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' GLN . 45.5 mt -40.25 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.756 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -42.66 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -43.79 87.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -55.06 -51.32 66.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 70' ' ' LEU . 58.3 t -67.08 -53.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -45.63 -25.06 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -94.68 -37.26 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 12' ' ' VAL . 35.3 tp -50.71 -71.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -47.41 -37.79 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 59.3 m-20 -64.42 -58.04 7.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -55.82 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -41.63 -46.38 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 24' ' ' LEU . 4.0 t80 -39.02 -55.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.71 -42.73 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.9 mt-10 -71.39 -54.52 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.87 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 20' ' ' TYR . 48.8 mt -100.64 -29.22 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 105.35 -13.4 47.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.599 HG23 ' CD1' ' A' ' 28' ' ' TYR . 7.4 mt -48.32 164.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.3 -31.33 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.599 ' CD1' HG23 ' A' ' 26' ' ' ILE . 13.5 p90 -88.31 163.91 34.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 117.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.454 HG22 ' CE1' ' A' ' 28' ' ' TYR . 12.1 t -107.97 160.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -102.67 135.36 44.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -75.8 140.14 70.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.05 73.0 4.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -55.0 -53.11 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -47.59 -64.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -54.56 -32.93 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.39 -22.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -82.78 -45.38 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -70.34 -43.22 70.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.25 113.35 33.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.4 14.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.1 47.76 3.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.89 -70.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 21.5 t -120.97 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 mt -90.53 133.64 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.631 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 26.4 mt -118.32 129.13 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.4 mm-40 -142.97 162.34 35.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.32 -10.39 71.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.42 164.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 169.37 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.778 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.83 8.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.24 -6.98 58.23 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 22.9 mt -119.87 100.9 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.85 8.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.44 89.52 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -149.09 179.52 7.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -62.78 149.9 88.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -75.01 -12.67 21.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 60' ' ' THR . 14.7 p -70.04 -40.2 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.414 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 75.2 p -71.55 -5.04 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 14.1 m-30 -104.9 163.29 12.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 163.48 13.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 p -40.31 -55.31 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -49.53 -57.06 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.32 -40.6 62.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' ARG . 60.7 mt -62.04 -62.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.93 -32.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 38.0 mtp85 -74.61 -56.85 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.462 HG21 ' CD1' ' A' ' 76' ' ' ILE . 8.2 mt -44.76 -65.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 12' ' ' VAL . 49.0 mt -45.44 -28.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -68.12 -55.62 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' LYS . 24.4 m -90.88 19.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -48.85 -26.09 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -39.67 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 13.1 mmtt -62.45 -51.17 68.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 69' ' ' ILE . 27.4 mt -40.86 125.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.3 ttmt -133.91 114.41 13.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.631 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -86.39 152.69 22.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -130.29 123.21 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG13 ' CD2' ' A' ' 24' ' ' LEU . 17.6 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.3 mt -40.91 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.734 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -46.27 -32.99 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' GLY . 3.5 mm-40 -77.08 -33.23 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mt-30 -61.79 -53.34 57.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 70' ' ' LEU . 53.4 t -66.17 -52.92 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -45.34 -26.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.1 -42.75 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 73' ' ' ALA . 30.0 tp -43.11 -71.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -43.96 -49.67 8.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 71.6 m-20 -55.54 -54.05 48.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -40.88 -42.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' HD13 ' A' ' 24' ' ' LEU . 3.1 t80 -42.94 -47.67 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -46.32 -28.11 3.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 60.7 mt-10 -79.45 -58.04 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.99 -26.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 20' ' ' TYR . 37.6 mt -101.67 -28.01 12.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.79 -15.07 61.26 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -43.83 165.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.3 mmtp -107.97 -33.64 7.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE1' HG23 ' A' ' 26' ' ' ILE . 17.6 p90 -84.81 163.99 44.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.567 1.825 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' CE1' ' A' ' 28' ' ' TYR . 10.9 t -102.62 159.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -105.2 124.4 49.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 20' ' ' TYR . 74.7 t -66.11 135.14 95.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 74.47 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.6 m-85 -55.76 -56.54 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -44.81 -61.33 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -57.18 -34.05 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.7 mt -71.95 -22.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -82.87 -44.16 15.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -41.21 66.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -120.27 113.49 33.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.51 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.08 50.16 3.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.95 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.26 121.35 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CD1' ' HB ' ' A' ' 79' ' ' THR . 1.1 mp -88.0 135.91 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 24.0 mt -118.51 121.02 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -134.33 166.04 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.69 -11.14 72.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.16 163.89 0.33 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 169.32 22.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.474 1.776 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.2 8.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.66 -6.0 58.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.91 101.13 48.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -75.01 179.38 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -88.19 87.67 7.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.82 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -49.56 136.79 17.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.42 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.5 t -56.42 -21.64 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.52 -11.5 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -103.44 168.62 9.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.81 153.41 29.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 p -45.71 -47.28 15.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 110.049 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -49.1 61.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.474 ' CA ' HD11 ' A' ' 53' ' ' ILE . 10.6 m-20 -59.25 -39.98 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' ARG . 49.1 mt -60.89 -60.8 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.86 -32.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 62.5 mtp180 -75.1 -55.91 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ALA . 15.4 mt -45.55 -63.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 12' ' ' VAL . 46.6 mt -48.93 -23.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -75.95 -50.42 15.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' LYS . 18.5 m -95.12 19.99 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -49.32 -23.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -75.06 -40.62 60.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.3 mptt -63.09 -52.12 63.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 HG12 ' CD2' ' A' ' 49' ' ' LEU . 23.3 mt -40.16 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -126.69 116.33 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -87.06 151.09 23.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.47 ' HB ' ' CD1' ' A' ' 45' ' ' ILE . 82.0 m -122.65 133.2 54.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 24' ' ' LEU . 78.4 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.48 169.71 8.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.95 161.78 42.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.45 138.46 4.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -130.75 159.9 35.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -152.39 83.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.62 138.2 4.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.098 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.6 mt -42.16 -72.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -38.8 -50.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -48.49 70.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.03 -52.42 58.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG2' HD22 ' A' ' 70' ' ' LEU . 59.7 t -66.43 -56.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -41.82 -28.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' VAL . 6.1 t0 -91.81 -41.88 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' VAL . 38.4 tp -45.56 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -45.51 -29.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 1.6 m-20 -74.28 -64.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -53.62 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -45.77 -48.11 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 24' ' ' LEU . 9.2 t80 -38.72 -56.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -41.78 -38.68 2.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.6 -53.25 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.799 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.6 -37.48 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 20' ' ' TYR . 26.7 mt -88.99 -31.56 18.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.05 -16.47 27.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.588 HG21 ' CD1' ' A' ' 28' ' ' TYR . 8.4 mt -46.24 165.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -107.95 -31.97 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.588 ' CD1' HG21 ' A' ' 26' ' ' ILE . 14.2 p90 -87.27 164.04 37.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 26' ' ' ILE . 11.4 t -105.81 159.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -91.26 149.11 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.534 ' HB ' ' CE1' ' A' ' 34' ' ' TYR . 53.4 t -94.17 135.22 24.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.91 73.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 22.1 m-30 -56.32 -52.73 63.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -47.17 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -54.98 -33.41 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.54 -26.76 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 1.4 mmmt -83.25 -55.9 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -44.78 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -120.17 113.49 34.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -21.26 16.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.98 45.57 3.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.8 m -105.24 -70.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.21 124.37 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.88 134.19 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.688 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -118.05 123.49 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -136.39 164.85 27.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.29 -10.32 73.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.7 164.26 0.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 169.53 22.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 122.64 7.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.74 -6.32 57.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 16.3 mt -119.99 99.77 48.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.548 1.815 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.47 86.81 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -146.38 -179.91 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -66.27 149.53 97.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.06 -15.0 20.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.7 m -61.81 -36.53 81.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -80.44 -5.74 57.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.8 m-30 -103.64 142.26 34.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.96 166.82 35.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.2 p -46.23 -39.25 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -59.89 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.439 ' CA ' HD12 ' A' ' 53' ' ' ILE . 14.0 m-20 -51.76 -45.42 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' ARG . 55.3 mt -55.83 -61.33 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.13 -32.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 56.6 mtt-85 -77.99 -54.97 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.464 HG23 ' CD1' ' A' ' 76' ' ' ILE . 13.2 mt -44.48 -64.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD22 ' CG2' ' A' ' 12' ' ' VAL . 47.0 mt -48.04 -27.9 2.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -68.97 -55.78 9.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 75' ' ' LYS . 27.4 m -89.55 18.39 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -48.07 -28.2 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -41.08 56.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mmtt -61.84 -50.59 71.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 69' ' ' ILE . 36.2 mt -41.09 121.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -130.19 120.25 24.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.688 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -91.98 152.18 20.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.3 m -126.52 126.71 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.4 t -115.34 102.05 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 p -46.63 -52.76 12.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 18.2 mtm105 -42.0 158.11 0.21 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.74 9.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.56 177.54 7.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -112.64 -52.24 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.65 92.34 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.93 122.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.482 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 4.7 mp -48.57 142.2 8.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.2 Cg_endo -75.05 163.8 34.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -136.94 85.67 22.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.49 6.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.91 152.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' O ' ' CB ' ' A' ' 94' ' ' SER . 2.9 pt-20 -112.51 -37.02 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER 77.93 -175.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 139.71 -166.07 25.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 150.83 38.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.758 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.1 t -116.91 139.5 50.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.3 m -80.75 -58.75 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 63.64 124.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.953 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.69 136.71 9.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.41 144.74 7.85 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -166.66 170.03 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 p -143.22 119.05 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.86 124.52 3.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 29.5 mt -42.56 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.73 -41.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -44.85 93.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.6 mt-30 -54.24 -63.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 70' ' ' LEU . 21.5 t -55.85 -46.96 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -36.44 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.3 -38.35 24.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.2 tp -51.39 -71.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -42.42 -40.67 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 56.1 m-20 -66.15 -56.03 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -52.7 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -43.41 -40.39 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.569 ' CD2' HD11 ' A' ' 24' ' ' LEU . 3.1 t80 -50.48 -50.17 53.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.1 -45.44 14.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -67.55 -55.79 12.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.44 -43.93 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 20' ' ' TYR . 51.2 mt -82.63 -27.46 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.07 -15.19 55.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.605 HG21 ' CD1' ' A' ' 28' ' ' TYR . 7.1 mt -44.49 165.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -106.41 -31.86 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.605 ' CD1' HG21 ' A' ' 26' ' ' ILE . 12.9 p90 -88.22 164.46 33.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.48 4.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 26' ' ' ILE . 12.1 t -109.03 160.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -99.1 152.21 20.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.4 138.6 21.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 75.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' OH ' ' OD1' ' A' ' 17' ' ' ASN . 21.0 m-85 -55.69 -53.37 57.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -65.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -53.5 -33.79 55.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.5 mt -70.21 -24.31 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -78.86 -47.67 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.55 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -120.27 113.53 33.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.68 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.67 51.69 4.61 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.85 -61.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 t -129.15 120.48 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.5 132.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 25.1 mt -118.43 124.35 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -136.85 162.9 31.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.64 -10.46 70.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 55' ' ' PHE . 11.5 mt -48.7 164.7 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.456 1.766 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.48 7.25 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.54 1.811 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.72 -6.5 57.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 19.8 mt -119.99 100.01 48.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.91 10.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.53 88.23 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -147.53 179.59 7.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.34 147.23 98.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.24 19.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.1 p -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 p -75.12 -2.86 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -109.77 164.32 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.36 166.16 14.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p -42.01 -51.92 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -46.79 -54.76 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLU . 56.8 mt -46.97 -61.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -38.0 -33.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 45.5 mtp85 -76.6 -52.73 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 76' ' ' ILE . 20.6 mt -45.65 -63.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 12' ' ' VAL . 48.8 mt -51.28 -25.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -69.18 -54.19 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 25.0 m -91.23 20.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.92 -28.56 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 mmtt -62.01 -50.68 71.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.5 mt -42.45 123.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 30.7 tttt -134.18 120.2 19.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -92.35 150.55 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -124.05 127.45 47.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' CG1' ' CD2' ' A' ' 24' ' ' LEU . 55.4 t -119.28 100.47 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' ARG . 77.2 p -41.49 -51.91 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' THR . 0.4 OUTLIER -38.9 157.14 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 102.35 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -100.24 175.98 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 64.41 147.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.17 -95.18 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.8 171.59 2.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.764 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.482 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 3.7 mp -127.51 141.03 39.67 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.2 Cg_endo -75.04 177.39 8.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -140.83 88.15 10.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.84 36.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.1 102.08 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -171.76 157.27 4.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.59 139.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.97 83.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.4 39.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.3 m -149.85 160.02 43.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 p -175.66 -58.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -84.94 140.87 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -154.02 142.55 20.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.72 96.77 2.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -157.11 138.31 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -167.95 113.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.3 121.36 4.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' GLN . 26.9 mt -42.84 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -43.95 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -43.73 93.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 31.3 mt-30 -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG22 ' CG ' ' A' ' 70' ' ' LEU . 16.4 t -57.59 -47.16 85.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -51.09 -27.64 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 73' ' ' ALA . 49.8 tp -51.95 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -51.3 -44.58 61.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 18.3 m-20 -56.19 -55.07 37.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -57.07 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -39.93 -39.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.536 ' CE2' HD13 ' A' ' 24' ' ' LEU . 4.9 t80 -45.2 -53.23 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -43.45 -35.21 2.73 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.03 -53.45 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.57 -25.96 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 ' CE2' ' A' ' 20' ' ' TYR . 49.7 mt -100.54 -26.21 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.4 60.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.165 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 28' ' ' TYR . 8.2 mt -45.93 165.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.69 -32.94 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CD1' HG21 ' A' ' 26' ' ' ILE . 15.9 p90 -85.97 164.13 40.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.32 6.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' CE1' ' A' ' 28' ' ' TYR . 10.8 t -113.12 159.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -104.28 128.45 52.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.6 t -67.87 139.98 93.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.99 70.28 5.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.74 -39.77 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -57.55 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -54.62 -34.21 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.0 mt -69.19 -30.05 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -74.97 -51.99 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -66.08 -40.88 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -120.23 113.4 33.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.46 12.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.74 3.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -102.28 -74.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 13.1 t -120.57 128.09 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.04 131.9 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 24.7 mt -116.62 122.26 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -135.76 164.44 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.81 -10.45 73.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.3 164.55 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 168.83 23.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.59 7.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.31 -5.96 57.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 15.3 mt -119.89 101.9 47.34 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 179.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -87.1 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.62 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -51.05 141.24 19.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -52.23 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 p -53.79 -26.57 24.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -9.55 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -109.3 157.73 18.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.34 156.41 49.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.8 p -44.83 -47.75 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -53.89 32.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.14 -37.47 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 68' ' ' ARG . 61.8 mt -64.21 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.83 -31.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 39.4 mtp85 -74.58 -55.98 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 76' ' ' ILE . 8.6 mt -46.16 -65.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.476 ' CG ' HG22 ' A' ' 12' ' ' VAL . 57.5 mt -45.84 -28.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -68.32 -56.14 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -90.83 19.85 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . . . -47.33 -28.83 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -40.77 65.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.9 mmtt -62.5 -49.57 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 69' ' ' ILE . 33.5 mt -43.43 124.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -132.81 117.83 18.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.8 m-85 -90.16 151.03 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.2 m -130.7 123.97 30.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 24' ' ' LEU . 49.0 t -107.43 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.5 p -47.8 -47.85 30.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.08 162.52 0.49 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.78 13.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.811 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -160.78 174.09 14.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -136.42 -59.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.61 165.1 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.155 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.32 136.73 33.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 11.2 mt 62.32 142.81 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.4 Cg_endo -75.0 175.81 10.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.22 95.36 3.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -49.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.59 164.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -92.8 176.15 6.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.84 139.46 44.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.35 132.84 1.58 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.74 5.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.431 1.753 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.1 p -107.84 90.79 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.7 p -172.61 160.13 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 63.19 122.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 t -148.04 121.61 9.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.42 103.71 0.21 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -93.74 150.67 20.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 0.726 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -149.07 156.77 42.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.74 113.99 3.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 63' ' ' SER . 37.8 mt -44.17 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 1.8 ttm105 -38.68 -47.85 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -47.78 82.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' LEU . 10.7 mt-30 -53.05 -59.83 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG21 ' CG ' ' A' ' 70' ' ' LEU . 17.9 t -60.06 -47.64 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -50.65 -24.84 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.06 -38.76 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -48.74 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -41.92 -43.31 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -63.66 -57.22 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.1 -58.43 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -41.14 -50.24 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.552 ' CD2' HD12 ' A' ' 24' ' ' LEU . 6.4 t80 -39.76 -53.8 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -42.01 -36.74 1.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' GLY . 31.4 mt-10 -72.13 -55.63 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.31 -31.1 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 20' ' ' TYR . 47.2 mt -96.58 -27.94 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.63 -12.04 62.92 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -44.07 165.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 4.0 mmtt -106.83 -34.98 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.598 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.9 p90 -83.67 163.81 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -99.28 159.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -106.51 135.18 48.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.505 ' HB ' ' CE1' ' A' ' 34' ' ' TYR . 54.2 t -77.73 129.33 76.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.92 75.49 3.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 21.0 m-30 -55.33 -35.83 65.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -61.91 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -58.26 -29.94 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.9 mt -74.81 -24.31 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -79.61 -56.56 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -42.65 93.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.25 113.58 33.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.18 16.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.64 51.25 3.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -109.93 -74.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 22.7 t -121.1 126.68 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.49 132.56 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 29.5 mt -114.55 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -134.33 166.29 23.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.3 -10.23 75.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.84 164.39 0.36 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.77 6.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.784 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.51 -5.38 57.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.564 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 10.9 mt -119.25 99.97 50.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -84.88 91.23 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -150.49 179.75 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 148.06 98.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -10.94 21.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.7 -39.9 80.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.2 p -73.66 -3.17 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -111.74 168.91 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -113.75 167.92 12.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 52.8 p -38.05 -60.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 109.954 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -43.19 -63.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.432 ' OD1' ' C ' ' A' ' 65' ' ' ASN . 5.4 t-20 -49.2 -41.92 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' ARG . 66.4 mt -62.72 -64.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.06 -32.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 81.1 mtt180 -75.21 -52.68 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.482 HG23 ' CD1' ' A' ' 76' ' ' ILE . 24.2 mt -48.38 -61.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CG ' HG21 ' A' ' 12' ' ' VAL . 50.9 mt -52.29 -25.98 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -65.22 -54.87 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' CG2' ' HD3' ' A' ' 50' ' ' PRO . 26.8 m -90.99 19.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.96 -28.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -73.97 -45.92 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.2 mmtt -61.0 -52.63 64.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' HG23 ' A' ' 69' ' ' ILE . 61.3 mt -39.54 120.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -131.03 127.63 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -96.77 150.54 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.7 m -122.87 134.95 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 24' ' ' LEU . 81.8 t -120.24 147.16 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 39.9 p -105.27 -47.04 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.37 164.42 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.24 25.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 8.4 p90 -170.39 170.16 7.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -170.15 162.67 8.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.17 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.58 95.3 2.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.61 80.89 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 30.4 mm -65.43 141.78 98.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.4 Cg_endo -75.01 168.84 23.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -169.11 76.21 0.73 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.218 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.3 4.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -163.13 142.92 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -152.1 158.09 42.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.56 141.96 48.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.68 93.86 0.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.25 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.0 m 72.98 -62.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.5 t -171.41 -58.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m -145.61 130.07 17.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 t -113.29 134.19 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.06 -67.27 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.82 114.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.027 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.17 123.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.39 107.08 2.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.4 mt -42.72 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.88 -45.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.37 -46.73 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.9 mt-30 -52.9 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG23 ' CG ' ' A' ' 70' ' ' LEU . 21.8 t -54.95 -48.74 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.06 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -40.61 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 51.5 tp -46.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -49.36 -42.15 41.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -59.85 -39.31 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -59.09 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -44.96 -40.25 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' CG ' HG22 ' A' ' 32' ' ' VAL . 31.4 t80 -52.95 -55.98 19.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.57 -39.61 10.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -63.28 -49.63 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.11 -23.1 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD21 ' CG1' ' A' ' 80' ' ' VAL . 42.6 mt -100.88 -24.75 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 100.07 -15.26 59.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.583 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.2 mt -48.71 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 0.79 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 6.6 mmtp -111.28 -32.77 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.583 ' CE1' HG21 ' A' ' 26' ' ' ILE . 19.0 p90 -83.82 163.6 48.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 26' ' ' ILE . 10.7 t -96.75 159.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -102.71 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG22 ' CG ' ' A' ' 20' ' ' TYR . 77.6 t -58.72 133.51 86.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.04 74.21 4.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -54.09 -43.48 70.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -38.51 50.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.81 -27.59 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.59 -53.72 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -42.48 92.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -120.16 113.71 33.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.04 18.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.85 49.73 3.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.5 t -110.99 -74.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' A' ' 78' ' ' PHE . 9.7 t -122.32 116.2 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -87.65 127.65 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 18.3 mt -111.45 118.74 58.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -133.75 163.94 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.51 72.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.48 164.56 0.32 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 123.0 7.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 -6.55 57.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -119.85 100.17 48.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.8 8.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.05 89.94 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -150.67 179.69 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -67.13 147.41 99.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -10.85 21.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -68.83 -19.65 64.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 p -95.58 -7.42 37.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -105.18 148.21 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.03 164.9 34.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.8 p -41.79 -47.25 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -59.66 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -51.42 -38.81 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ARG . 70.8 mt -63.92 -63.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -37.67 -32.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 52.1 mtp180 -73.76 -57.3 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.481 HG21 ' CD1' ' A' ' 76' ' ' ILE . 5.1 mt -43.58 -63.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' CG ' HG23 ' A' ' 12' ' ' VAL . 51.1 mt -49.52 -29.94 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -64.73 -54.53 30.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' LYS . 29.4 m -91.83 21.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 15' ' ' LEU . . . -47.97 -27.8 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -43.11 59.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.6 mmtt -60.84 -50.76 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 69' ' ' ILE . 47.8 mt -42.13 122.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -131.55 128.87 40.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.4 m-85 -99.63 151.73 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -121.61 132.2 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.451 ' CG1' HD21 ' A' ' 24' ' ' LEU . 72.9 t -124.01 126.21 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.2 p -88.1 -55.13 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 63.67 162.73 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 71.85 4.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 52.61 92.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 117.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -134.88 62.94 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.75 138.58 42.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 4.4 mp -139.13 141.45 29.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.5 Cg_endo -75.01 141.96 27.22 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 tttt 40.78 83.49 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.52 5.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -168.04 138.52 2.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.14 163.48 39.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.09 142.94 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.06 -177.04 31.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.36 25.01 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.808 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.2 p -150.77 107.99 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -142.66 166.82 23.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -141.69 -58.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -59.04 5.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.22 -141.83 16.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.74 142.59 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.734 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.9 126.93 5.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . -61.04 155.99 34.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.2 mt -41.36 -70.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 1.9 ttm105 -42.93 -41.3 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -39.28 85.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.3 mt-30 -58.99 -62.0 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 HG23 ' CG ' ' A' ' 70' ' ' LEU . 11.4 t -57.41 -45.43 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.35 -26.01 11.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.91 -39.04 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 tp -48.23 -71.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -42.97 -48.39 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -57.14 -54.38 47.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -50.4 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -47.6 -46.5 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 24' ' ' LEU . 4.1 t80 -45.83 -57.22 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.78 -36.22 1.06 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -75.84 -52.19 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -22.77 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 20' ' ' TYR . 43.9 mt -103.12 -28.35 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.09 -12.63 57.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.135 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.58 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.8 mt -48.9 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.5 mttt -109.49 -32.95 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.58 ' CE1' HG22 ' A' ' 26' ' ' ILE . 18.4 p90 -84.71 164.2 43.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.95 5.44 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 28' ' ' TYR . 10.5 t -107.6 158.37 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -103.97 121.48 43.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 20' ' ' TYR . 53.3 t -69.85 139.17 88.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 72.3 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.812 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -54.02 -55.68 25.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -64.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -33.77 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.7 mt -70.28 -25.18 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -79.83 -37.52 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -41.26 29.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -120.23 113.47 33.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.58 20.64 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.534 1.808 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.37 48.54 2.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -65.1 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 0.722 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 78' ' ' PHE . 17.5 t -129.74 117.81 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mt -88.12 132.12 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.579 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 23.6 mt -116.61 123.86 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -137.0 162.73 32.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.36 71.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.43 165.04 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 169.01 23.56 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.47 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.48 -5.22 57.03 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -119.69 101.02 48.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 179.91 5.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -89.06 88.69 7.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -148.09 179.76 7.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -50.3 134.46 24.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -47.6 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.0 p -58.86 -21.98 58.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -74.55 -10.77 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.16 175.62 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.1 163.09 26.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 p -45.44 -57.17 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.66 -58.41 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 65' ' ' ASN . 4.3 t-20 -50.66 -41.37 55.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ILE . 73.7 mt -63.59 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.94 -32.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 62.0 mtp85 -74.23 -52.42 12.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 76' ' ' ILE . 20.0 mt -47.29 -63.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.484 ' CG ' HG23 ' A' ' 12' ' ' VAL . 47.2 mt -51.03 -28.01 9.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -62.51 -52.56 62.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' CG2' ' HD3' ' A' ' 50' ' ' PRO . 24.6 m -94.7 20.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.74 -28.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -71.99 -49.08 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.3 mmtt -56.02 -52.12 65.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 69' ' ' ILE . 38.0 mt -40.22 124.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -136.04 123.38 21.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.579 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.4 m-85 -94.07 151.9 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.3 m -125.28 137.85 54.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 24' ' ' LEU . 43.6 t -130.72 100.32 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.7 p -45.02 -53.74 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.74 162.57 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.92 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.57 161.38 29.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -94.88 147.37 23.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.08 127.1 1.06 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.45 125.2 46.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 3.9 mp -78.13 141.41 62.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.4 Cg_endo -75.01 -175.95 2.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -130.19 81.54 68.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 118.7 5.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.443 1.76 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 54.33 97.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.88 117.49 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.63 120.06 6.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.46 -147.58 4.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.78 40.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.65 148.24 29.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.03 136.02 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -67.59 155.78 38.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -57.43 -57.24 13.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.67 -102.62 2.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.33 160.5 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -173.67 165.6 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.46 156.5 26.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.9 mt -40.55 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.51 -39.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -43.79 80.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' LEU . 15.8 mt-30 -54.19 -60.24 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 70' ' ' LEU . 29.9 t -58.79 -53.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -44.66 -25.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 -43.58 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 54.2 tp -42.77 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.3 -34.7 16.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -65.1 -52.82 53.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -56.45 18.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -40.71 -34.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -55.97 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.01 -33.24 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -76.44 -51.3 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -23.52 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 20' ' ' TYR . 47.1 mt -102.45 -25.46 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 102.93 -20.48 43.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.578 HG22 ' CD1' ' A' ' 28' ' ' TYR . 8.6 mt -45.03 164.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -109.1 -31.58 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.578 ' CD1' HG22 ' A' ' 26' ' ' ILE . 13.3 p90 -87.61 164.16 35.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' CD1' ' A' ' 28' ' ' TYR . 10.8 t -110.26 159.56 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -84.82 156.27 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.4 t -112.15 133.38 21.71 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 71.43 5.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' LYS . 38.7 m-85 -55.53 -52.94 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 2.9 tmtt? -48.57 -67.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -52.39 -33.43 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.84 -22.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -80.58 -37.73 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -79.57 -44.21 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -120.28 113.48 33.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.86 14.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.56 -24.97 71.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.78 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.428 HG12 ' CD2' ' A' ' 78' ' ' PHE . 9.6 t -127.44 119.88 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -87.92 127.69 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.672 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 18.6 mt -113.69 123.14 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -137.23 164.37 28.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.26 -10.34 73.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.74 164.82 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.02 23.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 123.57 7.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.42 -6.61 57.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.587 1.179 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.564 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 17.8 mt -120.01 101.36 47.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.05 7.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.44 91.16 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -151.17 178.4 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.69 149.86 91.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -17.62 19.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.0 t -62.05 -26.79 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.0 p -90.65 -0.18 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -111.73 132.45 54.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.19 164.0 54.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 p -43.52 -39.72 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.96 13.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -54.29 -38.86 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' ILE . 76.2 mt -63.31 -64.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -38.55 -32.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 1.2 mtt-85 -73.47 -50.57 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 76' ' ' ILE . 11.2 mt -50.82 -65.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.486 ' CG ' HG23 ' A' ' 12' ' ' VAL . 51.4 mt -46.43 -25.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -67.02 -56.68 9.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 21.9 m -91.51 19.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 15' ' ' LEU . . . -45.26 -28.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -72.86 -45.82 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.0 mmtt -57.74 -51.03 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 69' ' ' ILE . 37.3 mt -40.22 126.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.5 tttt -135.11 121.07 19.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.672 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.5 m-85 -94.15 150.63 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -126.67 123.04 36.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.8 t -112.89 100.32 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.7 p -45.63 -54.56 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.57 150.83 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 132.22 15.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.8 92.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.38 139.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.66 59.33 0.69 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.19 110.45 6.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 20.5 mm -109.68 142.52 25.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.0 Cg_endo -75.06 175.9 10.64 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 120.74 56.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.8 24.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.33 114.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.84 130.54 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 t -86.3 131.57 34.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.4 124.84 36.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.99 13.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -60.97 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.9 t -99.49 136.47 39.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -160.07 135.05 7.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.95 157.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.44 -71.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -39.41 136.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 p -143.24 139.55 30.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 136.22 81.59 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.4 mt -39.99 -66.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 2.0 ttp-105 -41.88 -43.95 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.59 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 35.4 mt-30 -56.18 -58.37 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG23 ' CD2' ' A' ' 70' ' ' LEU . 20.2 t -60.82 -50.45 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -25.51 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.41 -37.76 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 28.7 tp -50.65 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -46.51 -34.07 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 3.2 m-20 -68.63 -58.64 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -53.19 -54.85 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -42.59 -42.62 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.524 ' CD2' HD13 ' A' ' 24' ' ' LEU . 5.8 t80 -46.48 -55.16 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -40.13 -38.72 1.35 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.26 -52.73 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.25 -31.12 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 20' ' ' TYR . 42.2 mt -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.06 -18.91 44.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.585 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.5 mt -46.89 165.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.2 mmtp -107.99 -33.7 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.585 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.3 p90 -84.73 164.17 43.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 28' ' ' TYR . 10.0 t -112.04 159.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.17 157.18 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' A' ' 20' ' ' TYR . 59.9 t -109.2 135.94 20.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.05 75.65 3.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 5.6 m-30 -57.11 -60.6 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -42.53 -65.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -52.05 -35.94 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.5 mt -71.2 -22.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -81.73 -46.25 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -45.04 50.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -120.23 113.37 33.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.05 15.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.59 -24.92 73.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -41.06 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 0.784 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.7 t -133.05 121.55 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.65 132.04 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 26.5 mt -116.26 125.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.2 mm-40 -138.68 164.0 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.19 -10.62 73.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -48.54 164.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 169.44 22.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 122.88 7.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.65 -6.71 57.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 21.9 mt -119.99 100.4 48.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.49 9.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.6 92.12 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -152.07 177.91 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' CG ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -63.93 150.98 90.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.0 -20.37 16.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.803 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.5 -42.35 96.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.8 p -69.62 -10.67 59.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.1 m-30 -101.05 147.09 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.1 166.42 33.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 p -42.82 -44.26 4.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -59.58 -57.04 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 14.4 m-20 -52.67 -37.68 59.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 63.6 mt -63.49 -65.04 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.33 -32.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 9.2 mtp180 -73.48 -53.77 9.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.488 HD11 ' CD2' ' A' ' 61' ' ' PHE . 5.4 mt -49.3 -66.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' CD2' HG23 ' A' ' 12' ' ' VAL . 50.9 mt -45.1 -27.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -66.83 -54.95 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LYS . 28.0 m -93.87 18.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 15' ' ' LEU . . . -44.39 -28.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -72.68 -47.42 47.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.9 mmtt -55.4 -50.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.485 ' CD1' HG23 ' A' ' 69' ' ' ILE . 36.2 mt -40.92 124.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.8 ttmt -133.91 122.2 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.5 m-85 -93.92 150.38 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -126.56 116.88 21.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.9 t -104.63 111.75 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 p -67.86 -46.81 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.34 163.98 0.22 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.83 28.32 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -80.21 -53.06 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 44.15 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.92 -152.09 8.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 172.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 4.1 mp -68.24 141.27 93.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.97 -170.9 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.446 1.761 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 56.96 82.84 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 163.77 34.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -131.88 109.66 10.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.34 108.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.47 155.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.02 -178.67 49.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.41 4.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -65.92 160.29 23.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.7 m 48.38 81.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.44 1.087 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 p -46.6 156.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 109.951 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.15 166.53 10.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.8 -167.62 23.45 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.09 116.23 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 p -136.9 133.51 35.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 87.22 112.16 0.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . 36.8 mt -39.88 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -42.2 -42.28 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -39.69 86.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LEU . 33.6 mt-30 -53.36 -57.54 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG2' HD23 ' A' ' 70' ' ' LEU . 60.2 t -64.31 -54.91 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -28.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.31 -39.55 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 73' ' ' ALA . 30.0 tp -48.39 -71.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -45.03 -35.13 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 8.5 m-20 -68.89 -61.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -56.05 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -41.61 -44.53 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.56 ' CD2' HD12 ' A' ' 24' ' ' LEU . 3.6 t80 -44.18 -53.88 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -38.57 -32.57 0.16 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.43 -53.2 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -30.61 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 20' ' ' TYR . 63.2 mt -97.4 -25.47 15.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 96.47 -12.05 66.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.588 HG22 ' CD1' ' A' ' 28' ' ' TYR . 7.8 mt -47.52 165.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmtp -107.52 -32.68 7.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.588 ' CD1' HG22 ' A' ' 26' ' ' ILE . 15.3 p90 -86.53 164.05 39.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.31 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.48 HG23 ' CE1' ' A' ' 28' ' ' TYR . 10.8 t -103.39 161.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -105.85 125.25 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.417 ' HB ' ' CE1' ' A' ' 34' ' ' TYR . 74.5 t -65.34 138.1 96.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 70.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 30.6 m-85 -53.99 -45.05 71.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -64.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -53.43 -36.04 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 mt -68.52 -27.35 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -58.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -41.34 86.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -120.18 113.4 34.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -16.5 20.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.39 45.28 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.69 -80.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 19.9 t -113.73 124.97 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -91.61 133.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.684 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 25.0 mt -117.05 127.26 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.24 164.56 29.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.59 -10.44 74.08 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.05 164.53 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 169.05 23.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.88 7.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.62 -5.76 57.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 22.8 mt -119.87 101.54 47.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.75 8.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.86 87.58 7.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.72 179.87 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -64.65 147.08 98.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -13.19 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.67 -36.2 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -78.64 -1.76 35.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -109.65 154.54 22.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -100.54 162.66 18.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' GLY . 35.8 p -39.19 -43.38 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -56.95 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.66 -37.85 76.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' ARG . 54.6 mt -64.42 -63.5 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.38 -33.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 13.0 mtp85 -73.74 -53.82 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.478 HG23 ' CD1' ' A' ' 76' ' ' ILE . 4.4 mt -48.64 -59.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD23 ' CG2' ' A' ' 12' ' ' VAL . 56.4 mt -50.17 -23.62 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -72.19 -56.94 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.19 21.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 15' ' ' LEU . . . -49.88 -26.3 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -41.42 44.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -61.33 -50.31 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 69' ' ' ILE . 31.8 mt -40.96 123.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -131.8 123.22 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -95.25 151.93 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.9 m -125.52 132.9 52.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 24' ' ' LEU . 69.3 t -118.33 102.41 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.9 p -45.75 -47.0 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.3 mtt85 -45.75 156.72 0.42 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.25 6.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 55.2 96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -134.05 178.43 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.26 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -54.16 162.95 3.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -114.79 129.68 56.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.766 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 18.5 mm 62.39 141.49 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.1 Cg_endo -75.02 147.37 33.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.821 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? 44.81 91.15 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.91 2.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -155.21 136.25 13.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.46 125.33 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -108.69 164.66 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.58 111.3 3.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.47 4.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 t -160.22 169.54 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.41 162.37 22.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.075 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.67 106.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -59.05 159.26 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.45 -105.06 0.95 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m 61.72 128.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 110.016 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -109.51 88.95 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.99 110.31 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.0 mt -40.76 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.71 -44.66 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -42.69 95.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.9 mt-30 -55.86 -60.85 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG21 ' CG ' ' A' ' 70' ' ' LEU . 20.4 t -56.57 -50.87 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.66 -29.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.15 -43.73 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 47.8 tp -46.4 -71.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -40.37 -43.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 4.0 m-20 -63.75 -61.97 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -48.9 -52.35 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -46.08 -47.15 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 24' ' ' LEU . 4.6 t80 -42.51 -56.14 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.9 -42.72 1.58 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.9 mt-10 -68.54 -54.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.734 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.64 -26.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 20' ' ' TYR . 42.2 mt -100.61 -27.98 13.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.34 -16.56 52.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.612 HG23 ' CD1' ' A' ' 28' ' ' TYR . 6.9 mt -45.43 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 mttt -105.28 -31.8 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.612 ' CD1' HG23 ' A' ' 26' ' ' ILE . 12.1 p90 -89.62 164.18 30.26 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 125.63 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 t -115.66 158.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -89.27 155.4 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 67.1 t -100.15 138.21 20.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.02 74.09 4.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.57 -50.81 67.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.7 mttt -51.19 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -52.4 -31.95 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 mt -73.62 -21.58 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -86.87 -57.53 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.46 97.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.15 113.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.1 48.02 3.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -104.25 -72.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 19.4 t -124.01 125.28 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.43 134.65 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 21.9 mt -118.22 128.59 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' LYS . 8.5 mm-40 -141.15 164.38 30.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.85 -10.21 74.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.54 164.53 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.03 168.98 23.62 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.439 1.757 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.83 7.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.76 -6.13 56.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.9 mt -119.9 99.28 49.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.55 18.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -76.71 83.73 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.36 178.9 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.36 140.06 25.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 24.9 p -55.32 -22.19 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -9.48 58.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 15.9 m-85 -106.5 154.74 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.41 159.87 53.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.7 p -46.18 -53.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.991 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.39 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 38.7 m-80 -56.26 -38.78 71.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ARG . 72.3 mt -63.98 -63.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mt-10 -37.3 -32.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 46.6 mtp85 -73.46 -55.65 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.481 HG21 ' CD1' ' A' ' 76' ' ' ILE . 11.4 mt -45.44 -65.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' CG ' HG21 ' A' ' 12' ' ' VAL . 51.7 mt -47.61 -28.38 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -66.91 -55.24 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -91.28 20.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.44 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -48.45 -27.62 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.7 mmtt -63.3 -48.29 78.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 69' ' ' ILE . 42.9 mt -43.71 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' GLU . 27.5 tttm -134.58 121.17 20.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -93.6 151.27 19.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 m -125.0 131.04 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 24' ' ' LEU . 68.1 t -116.81 119.86 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.6 p -76.62 -48.34 19.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.63 156.93 0.4 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 173.56 14.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.21 132.11 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.85 136.59 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.0 75.33 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.65 168.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 3.6 mp -125.55 141.99 40.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.97 -173.49 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER 178.35 -58.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.01 100.5 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -138.57 150.61 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.34 101.73 7.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.251 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 62.6 m -50.36 133.38 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 153.63 -141.37 8.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 82.0 2.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.34 122.45 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 112.21 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.93 97.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.71 161.62 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.82 -111.84 1.73 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.28 110.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.39 -57.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.66 144.37 15.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD12 ' CB ' ' A' ' 63' ' ' SER . 26.0 mt -41.45 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 8.5 ttp-105 -39.15 -54.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -51.08 58.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.9 -57.26 8.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 70' ' ' LEU . 46.6 t -60.59 -56.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -39.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.34 -41.64 32.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' VAL . 47.5 tp -48.6 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -40.06 -44.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.79 -58.46 6.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -53.75 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -43.62 -52.42 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.56 ' CE2' HD11 ' A' ' 24' ' ' LEU . 5.7 t80 -39.43 -58.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -37.72 -36.69 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.4 -53.13 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.25 -33.97 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD11 ' CE2' ' A' ' 20' ' ' TYR . 51.5 mt -93.49 -27.55 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.1 -14.24 55.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.586 HG22 ' CE1' ' A' ' 28' ' ' TYR . 8.9 mt -47.89 165.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -108.35 -32.05 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.586 ' CE1' HG22 ' A' ' 26' ' ' ILE . 16.5 p90 -86.66 164.07 38.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.47 4.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 28' ' ' TYR . 10.8 t -106.51 158.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -83.3 158.67 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 20' ' ' TYR . 73.7 t -114.32 130.38 24.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.29 3.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' LYS . 4.4 m-30 -55.65 -59.62 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -66.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -50.9 -37.77 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 mt -68.03 -26.91 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -78.83 -48.33 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.71 -45.02 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -120.19 113.48 33.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.56 5.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.3 28.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -46.87 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.8 t -125.84 123.48 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mt -92.47 130.63 41.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.615 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 28.3 mt -115.79 126.49 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.48 165.65 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.84 -10.38 74.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.97 164.36 0.29 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 169.29 22.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.94 7.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -5.89 57.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.93 101.4 47.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.96 90.41 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -151.65 -178.62 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.535 ' CG ' ' CG2' ' A' ' 60' ' ' THR . 17.1 ptpt -66.49 155.75 87.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.11 9.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.9 -17.36 38.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.535 ' CG2' ' CG ' ' A' ' 57' ' ' LYS . 3.2 p -88.98 -8.73 53.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE1' ' OG1' ' A' ' 60' ' ' THR . 6.2 m-85 -116.06 160.13 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.05 171.94 21.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.448 ' CB ' HD12 ' A' ' 8' ' ' LEU . 3.8 p -42.09 -58.09 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.73 -60.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.452 ' CA ' HD11 ' A' ' 53' ' ' ILE . 25.5 m-20 -51.93 -57.92 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 67' ' ' GLU . 60.1 mt -44.36 -60.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.51 -34.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 56.0 mtt180 -75.59 -55.93 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 76' ' ' ILE . 7.9 mt -42.75 -67.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' CD2' HG22 ' A' ' 12' ' ' VAL . 49.6 mt -46.57 -28.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -70.37 -53.69 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.2 m -90.32 19.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -46.5 -27.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -43.19 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.8 mmtt -59.12 -51.35 70.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.49 ' CD1' HG21 ' A' ' 69' ' ' ILE . 27.0 mt -42.96 118.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -129.1 122.32 29.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.6 m-85 -93.77 151.49 19.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.3 m -130.14 122.19 27.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG12 ' CD2' ' A' ' 24' ' ' LEU . 14.5 t -107.82 144.3 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.0 p -112.36 -61.79 1.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 110.361 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 59.74 157.64 0.1 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' PHE . 18.4 Cg_endo -75.01 55.86 4.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' PRO . 6.7 m-85 37.91 86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -170.55 153.47 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.01 -95.29 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 62.58 117.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 4.1 mp -112.0 140.3 23.3 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.04 140.32 25.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -73.54 -51.58 5.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.25 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.02 80.73 2.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -95.36 127.85 41.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 64.6 98.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.9 m -115.87 85.22 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.99 -85.99 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 106.84 2.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.14 -61.39 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.7 p -163.36 167.03 22.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.052 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -142.88 166.79 23.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.5 p 177.59 156.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.66 164.09 18.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -154.01 -56.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.32 159.21 15.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.3 102.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.6 mt -48.79 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -52.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.5 -49.69 69.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.09 -56.12 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG23 ' CD2' ' A' ' 70' ' ' LEU . 62.0 t -64.61 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -44.76 -25.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -93.65 -36.12 12.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' VAL . 42.0 tp -51.96 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -46.27 -35.27 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 60.2 m-20 -68.3 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -53.46 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -41.64 -48.73 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 24' ' ' LEU . 4.8 t80 -37.82 -59.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.49 -38.24 0.62 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.12 -53.43 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.47 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 20' ' ' TYR . 53.2 mt -102.57 -25.2 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 97.78 -13.31 63.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.582 HG22 ' CE1' ' A' ' 28' ' ' TYR . 8.8 mt -47.98 165.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.89 -34.26 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE1' HG22 ' A' ' 26' ' ' ILE . 16.9 p90 -83.78 163.86 47.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.11 11.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -121.94 157.84 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -103.27 130.99 50.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 20' ' ' TYR . 73.9 t -69.81 139.42 88.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.98 73.82 4.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -55.17 -42.15 72.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -66.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -54.38 -32.77 57.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.2 mt -70.98 -28.43 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.96 25.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -41.16 74.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -120.16 113.56 33.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.12 17.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.74 43.66 2.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.76 -76.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.479 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 17.0 t -118.9 126.53 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mt -92.75 133.35 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.683 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 21.5 mt -117.0 128.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.9 mm-40 -140.13 164.34 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.62 -10.73 73.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.04 164.43 0.3 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.63 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.55 -7.57 57.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.143 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 17.4 mt -119.99 99.9 48.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.32 8.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -79.86 90.7 5.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -151.84 178.58 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.87 151.94 84.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.42 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.4 Cg_endo -74.98 -15.43 20.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.7 p -65.92 -33.15 75.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.6 p -79.16 -2.29 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.424 ' CD2' HD13 ' A' ' 69' ' ' ILE . 13.2 m-30 -111.68 153.99 25.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.73 164.29 20.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 p -40.85 -47.77 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.985 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -53.91 -59.25 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CA ' HD12 ' A' ' 53' ' ' ILE . 8.4 m-20 -51.29 -45.68 62.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 68' ' ' ARG . 46.2 mt -55.94 -60.99 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.49 -32.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 87.1 mtt180 -77.26 -54.93 5.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 76' ' ' ILE . 5.4 mt -44.67 -63.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 12' ' ' VAL . 43.9 mt -50.83 -25.67 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -70.42 -53.14 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.4 m -93.21 19.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -49.0 -28.4 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -38.75 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.4 mmtt -64.66 -50.24 67.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 69' ' ' ILE . 42.4 mt -40.61 126.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.6 tttp -136.63 118.97 15.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.683 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.9 m-85 -90.24 151.91 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -129.87 118.86 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.447 ' O ' ' CG2' ' A' ' 81' ' ' THR . 5.6 t -98.34 160.31 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 4.3 p -157.48 115.69 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 178.15 156.32 0.54 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.2 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -136.5 169.26 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -105.12 -40.17 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.485 ' HA3' ' CE2' ' A' ' 84' ' ' PHE . . . 55.15 -168.12 2.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 86' ' ' GLY . 1.4 mm? -135.2 -168.56 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 3.6 mp -79.89 140.7 54.41 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.03 173.17 14.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 86.43 2.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 141.23 26.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -120.29 173.3 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.13 135.86 52.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.7 160.45 43.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.04 96.97 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.1 3.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -136.05 170.84 15.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.5 p 59.05 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -55.49 -58.61 7.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.07 150.84 40.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.0 159.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.94 102.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m 63.57 162.02 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . 57.59 100.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 35.9 mt -43.01 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -46.93 -34.37 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.51 -33.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.2 mt-30 -65.14 -62.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 70' ' ' LEU . 12.5 t -55.41 -45.6 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -29.03 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.77 -38.93 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 46.0 tp -53.94 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CD2' ' HG3' ' A' ' 58' ' ' PRO . 5.8 m-30 -44.95 -32.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -54.93 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -53.82 53.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -42.0 -51.97 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CD2' HD12 ' A' ' 24' ' ' LEU . 6.9 t80 -44.09 -56.61 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.4 -36.39 0.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -71.53 -55.32 8.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.33 -25.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 20' ' ' TYR . 58.8 mt -100.88 -29.08 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.02 -18.91 45.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.58 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.3 mt -44.62 165.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -107.63 -34.03 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.58 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.9 p90 -84.51 163.37 47.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.17 3.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.6 t -97.27 162.66 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 158.18 17.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -109.51 122.61 38.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 82.15 2.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.19 -47.55 85.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -50.2 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -53.62 -29.61 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.21 -21.57 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -56.12 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.0 m -58.51 -40.38 82.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.12 113.48 34.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -18.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.8 38.76 3.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.72 -76.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -121.81 120.98 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -89.52 126.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.647 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 20.4 mt -112.36 121.53 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 77' ' ' LYS . 19.6 mm-40 -136.05 164.33 28.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.98 -10.38 73.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -49.58 164.29 0.34 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.94 169.21 23.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.75 8.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -7.23 57.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 17.5 mt -119.81 100.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.97 178.43 7.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.43 91.25 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -150.9 -179.13 7.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' CB ' ' HB ' ' A' ' 60' ' ' THR . 32.5 mttt -51.0 139.35 23.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HG3' ' CD2' ' A' ' 16' ' ' PHE . 18.3 Cg_endo -74.97 -57.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.764 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 9' ' ' ARG . 30.3 p -54.82 -22.1 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.439 ' HB ' ' CB ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -69.98 -7.86 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.355 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.462 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 19.2 m-85 -108.45 165.68 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.31 159.31 40.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -51.6 35.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 7.2 m-20 -58.47 -38.65 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ILE . 66.2 mt -62.64 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.69 -32.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 0.9 OUTLIER -73.47 -50.09 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 76' ' ' ILE . 18.3 mt -51.37 -68.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.486 ' CG ' HG23 ' A' ' 12' ' ' VAL . 52.9 mt -44.39 -26.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -65.55 -57.09 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' LYS . 31.4 m -91.63 20.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -46.53 -28.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -44.61 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.5 mmtt -59.83 -51.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 69' ' ' ILE . 29.3 mt -40.7 121.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 59.2 tttt -131.08 129.98 42.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.647 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.4 m-85 -102.16 150.56 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -124.9 140.96 52.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 24' ' ' LEU . 67.7 t -125.43 101.34 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.0 p -43.21 -65.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.03 163.05 0.13 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.45 27.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.547 1.814 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -142.08 172.95 11.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -113.71 163.13 15.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.81 117.59 1.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.18 175.45 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 3.3 mp -77.17 141.91 67.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.02 178.86 6.71 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -139.6 91.43 10.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.24 37.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -154.44 176.03 12.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -115.16 160.04 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.87 166.68 24.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.056 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.47 171.88 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.128 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.769 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.72 105.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -101.35 -58.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -121.74 138.22 54.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -174.44 125.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.01 74.78 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.464 1.103 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -154.88 121.64 5.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -134.2 -49.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.43 149.15 24.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' GLN . 57.9 mt -45.09 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.78 -36.84 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.55 -40.98 80.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . 7.2 mt-30 -56.23 -62.18 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG23 ' CG ' ' A' ' 70' ' ' LEU . 29.8 t -53.76 -54.37 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -26.92 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -91.43 -43.98 9.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 tp -45.12 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.4 m-85 -50.3 -46.56 55.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.94 -40.64 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -72.53 -60.88 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -43.34 -42.2 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.492 ' CG ' HG22 ' A' ' 32' ' ' VAL . 13.8 t80 -47.93 -59.19 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.9 -41.31 13.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -62.41 -48.88 77.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.05 -15.47 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' CG2' ' A' ' 80' ' ' VAL . 46.2 mt -106.25 -12.9 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 91.95 -29.18 7.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 28' ' ' TYR . 9.5 mt -44.91 165.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.2 mtmt -111.01 -35.06 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CE1' HG23 ' A' ' 26' ' ' ILE . 20.6 p90 -81.13 163.46 55.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.1 t -97.64 159.67 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.09 135.0 34.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.501 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.0 t -95.2 117.37 66.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 77.55 3.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 56.5 m-85 -58.7 -43.67 90.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -56.27 -34.35 66.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 17.0 mt -70.86 -27.97 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -74.01 -53.68 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -66.91 -40.34 87.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -120.21 113.53 33.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.5 10.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -40.25 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 37' ' ' ILE . 10.3 t -132.74 120.06 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mt -94.39 128.36 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 27.6 mt -110.77 123.79 66.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.6 mm-40 -136.19 162.77 32.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.7 68.42 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.27 164.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 168.59 24.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.26 7.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.65 57.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 16.2 mt -120.07 100.62 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -81.55 87.27 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -142.7 179.66 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 146.96 92.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -74.97 -8.16 19.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.67 -35.59 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -76.57 -4.85 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.469 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.0 m-30 -103.29 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -109.08 159.71 13.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.6 p -39.34 -46.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 110.048 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -58.59 7.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -54.9 -38.76 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.337 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' ILE . 78.9 mt -62.17 -64.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.73 -31.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 1.0 OUTLIER -75.05 -49.85 18.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 76' ' ' ILE . 8.3 mt -49.92 -64.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' CG ' HG23 ' A' ' 12' ' ' VAL . 45.7 mt -48.99 -26.49 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -63.92 -56.07 17.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 50' ' ' PRO . 27.3 m -91.17 20.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.42 -27.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -47.92 36.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ILE . 9.3 mmtt -56.18 -51.31 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.491 ' CD1' HG23 ' A' ' 69' ' ' ILE . 41.8 mt -39.87 127.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.5 tttt -138.83 123.42 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.6 m-85 -92.84 151.31 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.8 m -122.22 130.04 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 ' CG2' HD23 ' A' ' 24' ' ' LEU . 69.6 t -120.87 126.51 75.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.5 p -74.36 -60.59 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -41.07 161.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 138.82 23.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.4 p90 -120.51 165.41 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -107.21 154.22 21.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.49 -150.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.86 127.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 3.5 mp -133.29 141.87 42.19 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.97 167.59 26.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -92.61 114.95 63.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.14 25.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -177.38 114.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 95' ' ' GLY . 20.7 tt0 -140.23 -58.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.5 t 69.17 -68.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' GLU . . . 96.6 142.08 12.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.15 41.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.66 -84.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.3 85.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.18 -58.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.32 132.75 7.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.05 -174.74 16.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -178.5 144.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.99 174.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.24 141.77 5.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.9 mt -42.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.63 -39.27 1.03 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -44.93 77.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 21.0 mt-30 -52.56 -60.37 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 70' ' ' LEU . 7.7 t -57.94 -45.53 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -48.95 -29.84 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.57 -38.72 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 tp -51.36 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 109.313 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -43.7 -36.56 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -69.08 -55.22 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.17 -54.49 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 18.0 mmtt -40.27 -43.81 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.568 ' CD2' HD13 ' A' ' 24' ' ' LEU . 5.2 t80 -50.79 -57.33 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.22 -36.22 0.54 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.8 mt-10 -70.56 -56.44 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.726 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.83 -36.56 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 20' ' ' TYR . 49.1 mt -89.98 -28.6 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 99.92 -11.45 60.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 28' ' ' TYR . 7.4 mt -44.91 165.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmpt? -107.03 -32.67 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 26' ' ' ILE . 15.8 p90 -86.71 164.14 38.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.4 t -107.5 160.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.62 148.15 24.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 54.6 t -89.01 136.73 30.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.98 73.28 4.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -54.88 -35.29 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -62.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -56.95 -27.19 60.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 mt -77.7 -21.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.94 -55.88 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -61.0 -41.93 97.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.962 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -120.14 113.44 34.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.01 12.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.3 46.88 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.0 m -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.457 HG11 ' CD2' ' A' ' 78' ' ' PHE . 11.7 t -118.09 120.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -88.31 128.19 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.667 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 18.7 mt -114.36 118.89 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -134.28 164.11 28.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.72 70.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 55' ' ' PHE . 11.7 mt -48.49 164.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.53 -6.29 57.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -119.8 99.59 49.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.57 0.806 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.75 17.71 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.511 1.796 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.06 85.53 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -144.96 179.6 7.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.38 141.71 15.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.403 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.97 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.57 -26.13 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -68.56 -13.33 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.2 m-85 -105.09 144.37 31.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 161.8 34.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 p -47.83 -50.08 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -51.91 43.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 31.9 m-80 -59.08 -37.87 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ARG . 83.9 mt -63.87 -63.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -36.95 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 52.8 mtp85 -73.67 -54.32 8.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 76' ' ' ILE . 16.2 mt -45.69 -66.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' CG ' HG21 ' A' ' 12' ' ' VAL . 60.1 mt -46.75 -29.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -65.83 -54.85 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.3 m -91.54 20.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.76 -27.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.51 -43.08 60.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.9 mmtt -60.09 -51.7 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CD1' HG22 ' A' ' 69' ' ' ILE . 24.3 mt -41.08 122.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 31.1 tttt -131.71 123.86 28.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.667 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.5 m-85 -96.9 149.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 m -123.97 144.64 49.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t -128.56 100.75 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.9 p -41.12 -65.96 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.23 163.64 0.69 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 46.27 78.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 61.27 173.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -136.56 136.68 8.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.6 150.01 51.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.483 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 5.2 mp -77.77 141.32 64.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.01 -177.96 3.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm 65.21 78.1 0.27 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.06 4.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.28 156.63 25.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.11 155.22 40.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -174.15 157.2 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.77 95.39 0.1 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.92 9.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.77 122.76 43.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.24 129.63 29.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.54 104.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.71 132.6 25.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.69 142.33 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -175.14 140.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 109.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.42 152.26 27.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.89 120.85 4.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 28.0 mt -40.4 -70.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -40.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -44.2 84.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 12.2 mt-30 -53.54 -60.06 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG23 ' CG ' ' A' ' 70' ' ' LEU . 21.8 t -57.48 -51.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -29.67 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -89.47 -33.97 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 52.3 tp -55.22 -71.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -48.86 -31.98 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 7.8 m-20 -70.05 -59.92 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.59 -55.28 31.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 26.9 mmtt -40.24 -43.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE2' HD13 ' A' ' 24' ' ' LEU . 3.7 t80 -47.68 -57.87 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -39.02 -36.03 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . 66.1 mt-10 -75.47 -55.49 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -31.64 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD13 ' CE2' ' A' ' 20' ' ' TYR . 28.4 mt -94.64 -29.08 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 102.44 -13.91 56.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.579 HG22 ' CD1' ' A' ' 28' ' ' TYR . 7.8 mt -45.99 165.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.64 -33.48 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.579 ' CD1' HG22 ' A' ' 26' ' ' ILE . 15.7 p90 -85.39 164.46 40.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 28' ' ' TYR . 11.0 t -108.0 161.25 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -107.65 133.55 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.0 t -73.43 136.0 78.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 72.49 4.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -53.79 -54.43 38.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -45.43 -66.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -53.32 -31.28 43.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 mt -72.38 -23.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -79.37 -47.63 15.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 m -66.9 -43.65 82.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -120.17 113.33 34.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.54 14.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.417 1.746 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.51 43.29 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.68 -72.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.4 t -121.0 120.41 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -88.2 134.09 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -120.12 128.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -141.75 161.94 36.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.03 -10.73 69.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -47.64 164.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 168.84 23.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.92 6.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.88 -4.88 56.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 18.1 mt -119.86 102.04 47.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.87 12.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -79.35 83.88 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -144.12 -179.78 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -68.22 149.88 97.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.08 -11.44 21.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.89 -43.81 97.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 p -75.93 -2.24 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.2 m-30 -103.43 154.32 19.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.11 164.8 18.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 p -45.62 -39.09 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -53.99 47.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.47 ' CA ' HD13 ' A' ' 53' ' ' ILE . 4.4 m-20 -60.57 -39.26 87.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' ARG . 70.9 mt -62.24 -63.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -36.9 -34.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 1.6 mtp85 -74.09 -54.71 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 76' ' ' ILE . 4.0 mt -44.75 -66.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CG ' HG23 ' A' ' 12' ' ' VAL . 50.5 mt -46.6 -28.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -67.61 -53.75 25.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 75' ' ' LYS . 19.5 m -91.81 20.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.461 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . . . -48.45 -27.13 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -40.62 60.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 mmtt -62.32 -50.01 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 69' ' ' ILE . 41.5 mt -43.01 129.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.4 tttm -138.56 117.86 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.6 m-85 -90.9 151.52 21.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.6 m -124.36 127.16 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.476 ' CG1' ' CD2' ' A' ' 24' ' ' LEU . 70.1 t -119.97 132.93 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.8 p -98.69 -53.89 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 61.09 159.13 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.772 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.08 115.05 22.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.88 -57.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -115.02 -170.69 16.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.01 167.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 14.2 mm -53.58 140.82 46.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.04 156.96 42.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 4.4 tttt -49.54 129.47 18.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -74.96 94.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.0 117.63 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.93 131.46 35.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.3 t -119.11 92.56 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -140.22 -157.46 7.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.02 41.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 t -164.54 123.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 p -138.45 105.68 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -103.73 140.0 38.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 p -174.13 148.5 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.55 -173.01 19.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.15 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.95 113.52 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 p 176.41 132.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.97 111.16 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.565 1.166 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 mt -40.71 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.1 ttm105 -39.04 -46.54 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.43 -44.86 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -52.04 -58.85 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG22 ' CG ' ' A' ' 70' ' ' LEU . 12.3 t -60.15 -44.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -24.71 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -93.88 -41.49 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 57.4 tp -47.06 -71.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -45.79 -48.35 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -56.58 -37.72 70.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.75 -62.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -43.59 -41.26 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.477 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 33.1 t80 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -37.37 -40.51 0.64 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 47.9 mt-10 -65.32 -52.94 50.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.7 -26.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 59.2 mt -99.56 -30.52 12.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 108.64 -21.26 28.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.1 mt -45.13 165.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -109.7 -36.34 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.8 p90 -80.25 163.76 55.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.14 3.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 28' ' ' TYR . 9.6 t -98.68 158.54 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.2 109.72 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG22 ' CG ' ' A' ' 20' ' ' TYR . 76.3 t -55.67 140.56 66.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.417 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.04 70.1 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -54.8 -55.77 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -29.95 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 mt -72.49 -22.4 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -85.05 -53.2 5.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -63.64 -43.93 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -120.14 113.49 34.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.09 20.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.62 50.29 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -110.03 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.5 t -120.89 120.06 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.09 133.85 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 19.6 mt -116.73 127.1 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.84 166.17 24.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.77 -10.81 73.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -49.13 164.1 0.32 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 168.96 23.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.41 -6.28 57.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.2 mt -119.52 99.41 49.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 170.48 20.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.53 86.61 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.5 mmt-85 -145.86 -179.9 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -51.09 141.0 20.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.415 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.05 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.768 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.408 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 7.6 p -53.54 -25.75 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -6.89 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.5 m-85 -113.19 153.05 28.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.84 164.22 53.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 p -49.74 -46.02 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -53.17 -55.09 26.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 2.3 m120 -56.06 -37.67 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ARG . 80.3 mt -64.87 -63.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.43 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 90.7 mtt180 -74.27 -52.7 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 76' ' ' ILE . 17.1 mt -48.36 -63.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.487 ' CG ' HG22 ' A' ' 12' ' ' VAL . 55.9 mt -49.66 -24.68 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -69.74 -56.15 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' LYS . 27.8 m -90.17 18.04 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB1' ' CD2' ' A' ' 15' ' ' LEU . . . -45.57 -27.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -71.18 -45.76 62.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.3 mptt -61.86 -50.86 70.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 69' ' ' ILE . 55.1 mt -39.78 116.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -129.1 128.22 43.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.692 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -97.96 150.53 21.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.5 m -122.48 134.14 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.404 ' CG1' HD22 ' A' ' 24' ' ' LEU . 78.3 t -124.83 100.71 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.4 p -39.23 -51.02 1.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -49.99 160.08 0.7 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.21 15.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -138.18 148.71 45.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -76.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.2 177.5 17.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.83 103.53 10.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 4.1 mp -70.73 140.6 86.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.96 -177.25 3.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.787 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' CB ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER 178.74 -58.21 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -75.02 55.27 3.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 t0 63.81 135.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.93 127.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.4 p -141.77 100.36 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.14 -147.98 23.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.68 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.53 77.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.949 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -145.03 97.89 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -90.4 167.68 12.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -113.91 -59.66 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.23 141.07 3.63 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -123.41 98.31 5.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 110.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.71 166.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.036 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.15 88.12 0.68 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 22.4 mt -42.37 -71.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.45 -47.54 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.4 mt-30 -54.27 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 70' ' ' LEU . 39.9 t -56.1 -55.62 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.46 -38.69 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -79.62 -36.19 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' VAL . 45.4 tp -54.48 -71.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -41.96 -35.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 86.8 m-20 -72.45 -59.92 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 -58.42 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -41.51 -49.31 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 24' ' ' LEU . 3.2 t80 -39.31 -54.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.33 -33.34 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.84 -54.02 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 0.741 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 20' ' ' TYR . 52.4 mt -78.75 -24.55 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.13 69.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.596 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -43.92 165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 tttp -105.42 -35.17 7.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.596 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.1 p90 -84.37 163.9 45.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 114.66 4.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG23 ' CD1' ' A' ' 28' ' ' TYR . 11.1 t -101.99 160.19 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -106.6 131.12 54.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -71.25 134.31 85.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 72.48 4.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -54.87 -48.15 73.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.38 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.89 -30.17 61.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.5 mt -73.24 -27.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -46.79 21.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -42.69 73.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.11 113.39 34.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.75 7.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.74 48.5 4.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 p -108.37 -71.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.6 t -118.82 126.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.48 130.81 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.696 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 22.7 mt -114.34 129.83 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.45 165.15 28.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.65 -10.39 74.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.4 mt -49.1 163.72 0.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.06 169.93 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.7 56.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -119.8 99.35 49.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 175.47 11.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.52 85.6 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.93 178.66 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -65.86 150.4 96.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.69 20.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.0 p -66.43 -39.72 89.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.5 p -72.64 -8.17 53.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' CD2' HD12 ' A' ' 69' ' ' ILE . 18.4 m-30 -102.82 162.77 12.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.29 166.4 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 p -42.95 -47.36 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -63.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' CA ' HD12 ' A' ' 53' ' ' ILE . 3.0 m-20 -49.73 -55.32 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 67' ' ' GLU . 57.7 mt -45.9 -62.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -36.7 -34.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 26.3 mtt85 -77.33 -52.8 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.515 HD12 ' CD2' ' A' ' 61' ' ' PHE . 19.5 mt -44.18 -62.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 12' ' ' VAL . 41.1 mt -52.61 -26.73 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -67.59 -54.74 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' CG2' ' HD3' ' A' ' 50' ' ' PRO . 29.8 m -88.06 15.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.79 -27.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -72.29 -49.28 35.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 mptt -60.77 -53.43 57.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG12 ' CD2' ' A' ' 49' ' ' LEU . 19.2 mt -38.6 109.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -123.6 129.95 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.8 m-85 -98.92 151.17 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.6 m -121.84 126.62 49.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.462 ' CG1' ' CD2' ' A' ' 24' ' ' LEU . 74.5 t -115.22 112.11 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.6 p -66.74 -53.63 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.461 ' HG3' ' CG1' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -44.37 156.5 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 146.36 32.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -145.16 179.48 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -137.58 142.8 41.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.06 124.51 1.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.3 134.5 51.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 17.2 mm 66.93 141.89 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.02 170.5 20.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -142.87 69.11 18.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.54 15.56 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.86 162.47 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -135.52 -61.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.4 t -177.55 144.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.03 -151.86 13.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.1 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.6 p -166.84 166.93 15.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.2 m 62.35 108.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -112.48 148.61 34.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -135.52 139.37 43.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.89 95.02 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.19 -55.94 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.13 151.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.35 105.7 3.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' GLN . 45.5 mt -40.25 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.756 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -42.66 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -43.79 87.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -55.06 -51.32 66.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 70' ' ' LEU . 58.3 t -67.08 -53.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -45.63 -25.06 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -94.68 -37.26 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 12' ' ' VAL . 35.3 tp -50.71 -71.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -47.41 -37.79 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 59.3 m-20 -64.42 -58.04 7.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -55.82 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -41.63 -46.38 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 24' ' ' LEU . 4.0 t80 -39.02 -55.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.71 -42.73 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.9 mt-10 -71.39 -54.52 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.87 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 20' ' ' TYR . 48.8 mt -100.64 -29.22 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 105.35 -13.4 47.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.599 HG23 ' CD1' ' A' ' 28' ' ' TYR . 7.4 mt -48.32 164.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.3 -31.33 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.599 ' CD1' HG23 ' A' ' 26' ' ' ILE . 13.5 p90 -88.31 163.91 34.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 117.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.454 HG22 ' CE1' ' A' ' 28' ' ' TYR . 12.1 t -107.97 160.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -102.67 135.36 44.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -75.8 140.14 70.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.05 73.0 4.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -55.0 -53.11 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -47.59 -64.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -54.56 -32.93 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.9 mt -71.39 -22.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -82.78 -45.38 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -70.34 -43.22 70.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.25 113.35 33.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.4 14.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.1 47.76 3.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.89 -70.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 21.5 t -120.97 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 mt -90.53 133.64 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.631 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 26.4 mt -118.32 129.13 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.4 mm-40 -142.97 162.34 35.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.32 -10.39 71.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.42 164.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 169.37 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.778 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.83 8.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.24 -6.98 58.23 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 22.9 mt -119.87 100.9 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.85 8.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.44 89.52 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -149.09 179.52 7.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -62.78 149.9 88.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -75.01 -12.67 21.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 60' ' ' THR . 14.7 p -70.04 -40.2 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.414 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 75.2 p -71.55 -5.04 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 14.1 m-30 -104.9 163.29 12.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 163.48 13.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 p -40.31 -55.31 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -49.53 -57.06 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.32 -40.6 62.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' ARG . 60.7 mt -62.04 -62.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.93 -32.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 38.0 mtp85 -74.61 -56.85 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.462 HG21 ' CD1' ' A' ' 76' ' ' ILE . 8.2 mt -44.76 -65.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD2' HG22 ' A' ' 12' ' ' VAL . 49.0 mt -45.44 -28.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -68.12 -55.62 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' LYS . 24.4 m -90.88 19.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -48.85 -26.09 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -39.67 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 13.1 mmtt -62.45 -51.17 68.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 69' ' ' ILE . 27.4 mt -40.86 125.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.3 ttmt -133.91 114.41 13.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.631 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -86.39 152.69 22.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -130.29 123.21 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 81' ' ' THR . 17.6 t -105.59 155.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 5.0 p -158.97 114.95 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -159.53 163.35 23.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.12 8.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.6 t80 53.98 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -150.28 128.11 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.291 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.37 -152.9 24.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.77 132.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 3.4 mp -128.57 142.53 45.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.96 144.0 29.88 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.557 1.819 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.8 134.35 94.0 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 143.4 29.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 175.25 157.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.356 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.48 -60.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 p -47.46 137.24 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.7 149.28 5.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.48 9.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -62.69 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -116.58 124.42 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -68.74 -58.33 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.63 -57.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.96 178.67 17.98 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -150.4 172.08 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.979 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -114.01 148.41 37.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' GLU . . . 94.78 103.08 1.82 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.3 mt -40.91 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.734 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -46.27 -32.99 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' GLY . 3.5 mm-40 -77.08 -33.23 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mt-30 -61.79 -53.34 57.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 70' ' ' LEU . 53.4 t -66.17 -52.92 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -45.34 -26.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.1 -42.75 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 73' ' ' ALA . 30.0 tp -43.11 -71.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -43.96 -49.67 8.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 71.6 m-20 -55.54 -54.05 48.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -40.88 -42.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' HD13 ' A' ' 24' ' ' LEU . 3.1 t80 -42.94 -47.67 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -46.32 -28.11 3.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 60.7 mt-10 -79.45 -58.04 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.99 -26.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 20' ' ' TYR . 37.6 mt -101.67 -28.01 12.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.79 -15.07 61.26 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.582 HG23 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -43.83 165.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.3 mmtp -107.97 -33.64 7.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CE1' HG23 ' A' ' 26' ' ' ILE . 17.6 p90 -84.81 163.99 44.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.567 1.825 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' CE1' ' A' ' 28' ' ' TYR . 10.9 t -102.62 159.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -105.2 124.4 49.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 20' ' ' TYR . 74.7 t -66.11 135.14 95.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 74.47 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.6 m-85 -55.76 -56.54 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -44.81 -61.33 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -57.18 -34.05 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.7 mt -71.95 -22.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -82.87 -44.16 15.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -41.21 66.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -120.27 113.49 33.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.51 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.08 50.16 3.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.95 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.2 t -127.26 121.35 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CD1' ' HB ' ' A' ' 79' ' ' THR . 1.1 mp -88.0 135.91 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 78' ' ' PHE . 24.0 mt -118.51 121.02 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -134.33 166.04 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.69 -11.14 72.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.16 163.89 0.33 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 169.32 22.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.474 1.776 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.2 8.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.66 -6.0 58.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.91 101.13 48.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -75.01 179.38 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -88.19 87.67 7.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.82 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -49.56 136.79 17.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.42 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.5 t -56.42 -21.64 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.52 -11.5 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -103.44 168.62 9.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.81 153.41 29.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 p -45.71 -47.28 15.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 110.049 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -49.1 61.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.474 ' CA ' HD11 ' A' ' 53' ' ' ILE . 10.6 m-20 -59.25 -39.98 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 68' ' ' ARG . 49.1 mt -60.89 -60.8 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.86 -32.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 62.5 mtp180 -75.1 -55.91 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 73' ' ' ALA . 15.4 mt -45.55 -63.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' CD2' HG21 ' A' ' 12' ' ' VAL . 46.6 mt -48.93 -23.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -75.95 -50.42 15.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' LYS . 18.5 m -95.12 19.99 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -49.32 -23.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -75.06 -40.62 60.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.3 mptt -63.09 -52.12 63.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 HG12 ' CD2' ' A' ' 49' ' ' LEU . 23.3 mt -40.16 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -126.69 116.33 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 4.7 m-85 -87.06 151.09 23.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.47 ' HB ' ' CD1' ' A' ' 45' ' ' ILE . 82.0 m -122.65 133.2 54.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 24' ' ' LEU . 78.4 t -123.36 100.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.4 p -42.05 -51.85 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -46.75 157.84 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.53 37.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 7.4 p90 -167.12 161.87 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.02 170.41 10.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.54 157.38 23.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.41 154.23 35.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 89' ' ' PRO . 3.3 mp -74.64 141.53 76.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 88' ' ' ILE . 18.2 Cg_endo -74.97 -173.75 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -136.26 152.24 74.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.34 32.59 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 45.5 p-10 -120.1 164.04 16.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.15 159.48 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t 63.84 149.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.08 -76.37 0.19 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -174.69 2.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 t 71.25 -68.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.53 168.31 23.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 8' ' ' LEU . 19.6 mt -42.16 -72.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -38.8 -50.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -48.49 70.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -53.03 -52.42 58.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 70' ' ' LEU . 59.7 t -66.43 -56.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -41.82 -28.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' VAL . 6.1 t0 -91.81 -41.88 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.529 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 38.4 tp -45.56 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -45.51 -29.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.627 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.6 m-20 -74.28 -64.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -53.62 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -45.77 -48.11 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.705 ' CD1' HG22 ' A' ' 32' ' ' VAL . 9.2 t80 -38.72 -56.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -41.78 -38.68 2.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.6 -53.25 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.799 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.6 -37.48 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.81 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.7 mt -88.99 -31.56 18.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.05 -16.47 27.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.69 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.4 mt -46.24 165.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -107.95 -31.97 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 26' ' ' ILE . 14.2 p90 -87.27 164.04 37.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.689 HG21 HD13 ' A' ' 26' ' ' ILE . 11.4 t -105.81 159.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -91.26 149.11 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.705 HG22 ' CD1' ' A' ' 20' ' ' TYR . 53.4 t -94.17 135.22 24.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.91 73.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 22.1 m-30 -56.32 -52.73 63.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -47.17 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -54.98 -33.41 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.54 -26.76 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 1.4 mmmt -83.25 -55.9 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -44.78 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -120.17 113.49 34.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -21.26 16.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.98 45.57 3.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.8 m -105.24 -70.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' THR . 21.1 t -125.21 124.37 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt -89.88 134.19 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -118.05 123.49 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -136.39 164.85 27.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.29 -10.32 73.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.7 164.26 0.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.981 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 169.53 22.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 122.64 7.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.74 -6.32 57.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.981 HD12 ' HG2' ' A' ' 50' ' ' PRO . 16.3 mt -119.99 99.77 48.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.548 1.815 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.47 86.81 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -146.38 -179.91 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -66.27 149.53 97.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.06 -15.0 20.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.7 m -61.81 -36.53 81.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -80.44 -5.74 57.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.8 m-30 -103.64 142.26 34.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.96 166.82 35.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.422 ' HA ' HD12 ' A' ' 66' ' ' LEU . 6.2 p -46.23 -39.25 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -59.89 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.76 -45.42 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 12' ' ' VAL . 55.3 mt -55.83 -61.33 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.13 -32.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.818 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 56.6 mtt-85 -77.99 -54.97 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 76' ' ' ILE . 13.2 mt -44.48 -64.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' HG22 ' A' ' 12' ' ' VAL . 47.0 mt -48.04 -27.9 2.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.97 -55.78 9.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.458 HG21 ' CD ' ' A' ' 50' ' ' PRO . 27.4 m -89.55 18.39 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.07 -28.2 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -41.08 56.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mmtt -61.84 -50.59 71.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.2 mt -41.09 121.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -130.19 120.25 24.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -91.98 152.18 20.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 88.3 m -126.52 126.71 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 24' ' ' LEU . 42.4 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 29.5 mt -42.56 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.73 -41.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -44.85 93.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.6 mt-30 -54.24 -63.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.681 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.5 t -55.85 -46.96 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -36.44 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.3 -38.35 24.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.526 HD22 HD23 ' A' ' 70' ' ' LEU . 52.2 tp -51.39 -71.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -42.42 -40.67 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.628 ' HA ' HG23 ' A' ' 32' ' ' VAL . 56.1 m-20 -66.15 -56.03 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -52.7 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -43.41 -40.39 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.588 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.1 t80 -50.48 -50.17 53.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.1 -45.44 14.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -67.55 -55.79 12.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.44 -43.93 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.945 ' CD2' HG11 ' A' ' 80' ' ' VAL . 51.2 mt -82.63 -27.46 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.07 -15.19 55.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.739 HD13 HG21 ' A' ' 30' ' ' VAL . 7.1 mt -44.49 165.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -106.41 -31.86 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.693 ' CE1' HG21 ' A' ' 26' ' ' ILE . 12.9 p90 -88.22 164.46 33.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.48 4.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.739 HG21 HD13 ' A' ' 26' ' ' ILE . 12.1 t -109.03 160.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -99.1 152.21 20.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 17' ' ' ASN . 57.6 t -97.4 138.6 21.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 75.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -55.69 -53.37 57.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -65.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -53.5 -33.79 55.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 32' ' ' VAL . 12.5 mt -70.21 -24.31 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -78.86 -47.67 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.55 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -120.27 113.53 33.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.68 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.67 51.69 4.61 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.85 -61.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 t -129.15 120.48 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.5 132.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.858 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 25.1 mt -118.43 124.35 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -136.85 162.9 31.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.64 -10.46 70.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -48.7 164.7 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.008 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.456 1.766 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.48 7.25 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.54 1.811 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.72 -6.5 57.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.008 HD12 ' HG2' ' A' ' 50' ' ' PRO . 19.8 mt -119.99 100.01 48.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.91 10.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.53 88.23 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -147.53 179.59 7.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.34 147.23 98.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.24 19.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' A' ' 60' ' ' THR . 14.1 p -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.422 HG23 ' SG ' ' A' ' 59' ' ' CYS . 17.7 p -75.12 -2.86 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -109.77 164.32 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.36 166.16 14.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p -42.01 -51.92 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 29.3 m-80 -46.79 -54.76 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 12' ' ' VAL . 56.8 mt -46.97 -61.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -38.0 -33.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.831 ' HD3' HD11 ' A' ' 53' ' ' ILE . 45.5 mtp85 -76.6 -52.73 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.581 HG23 HD11 ' A' ' 76' ' ' ILE . 20.6 mt -45.65 -63.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.681 ' HG ' HG22 ' A' ' 12' ' ' VAL . 48.8 mt -51.28 -25.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -69.18 -54.19 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 25.0 m -91.23 20.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.619 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.92 -28.56 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 mmtt -62.01 -50.68 71.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 73' ' ' ALA . 38.5 mt -42.45 123.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 30.7 tttt -134.18 120.2 19.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.858 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -92.35 150.55 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -124.05 127.45 47.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.945 HG11 ' CD2' ' A' ' 24' ' ' LEU . 55.4 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 8' ' ' LEU . 26.9 mt -42.84 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -43.95 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -43.73 93.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 31.3 mt-30 -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' HG ' ' A' ' 70' ' ' LEU . 16.4 t -57.59 -47.16 85.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -51.09 -27.64 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD11 ' HB1' ' A' ' 73' ' ' ALA . 49.8 tp -51.95 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.526 ' HE1' HD13 ' A' ' 76' ' ' ILE . 21.0 m-85 -51.3 -44.58 61.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.784 ' HA ' HG23 ' A' ' 32' ' ' VAL . 18.3 m-20 -56.19 -55.07 37.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -57.07 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -39.93 -39.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.706 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.9 t80 -45.2 -53.23 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -43.45 -35.21 2.73 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.03 -53.45 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.57 -25.96 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 20' ' ' TYR . 49.7 mt -100.54 -26.21 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.4 60.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.165 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.686 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -45.93 165.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.69 -32.94 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.686 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.9 p90 -85.97 164.13 40.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.32 6.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -113.12 159.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -104.28 128.45 52.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.784 HG23 ' HA ' ' A' ' 17' ' ' ASN . 69.6 t -67.87 139.98 93.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.594 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 70.28 5.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.74 -39.77 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -57.55 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -54.62 -34.21 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 32' ' ' VAL . 13.0 mt -69.19 -30.05 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -74.97 -51.99 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -66.08 -40.88 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -120.23 113.4 33.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.46 12.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.74 3.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -102.28 -74.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 13.1 t -120.57 128.09 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.04 131.9 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.909 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 24.7 mt -116.62 122.26 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -135.76 164.44 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.81 -10.45 73.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.3 164.55 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.981 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 168.83 23.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.59 7.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.31 -5.96 57.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.981 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.3 mt -119.89 101.9 47.34 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 179.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -87.1 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.62 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -51.05 141.24 19.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -52.23 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 p -53.79 -26.57 24.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -9.55 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -109.3 157.73 18.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.34 156.41 49.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.591 ' HA ' HD12 ' A' ' 66' ' ' LEU . 21.8 p -44.83 -47.75 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -53.89 32.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.14 -37.47 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 63' ' ' SER . 61.8 mt -64.21 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.83 -31.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.85 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 39.4 mtp85 -74.58 -55.98 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.679 HG23 HD11 ' A' ' 76' ' ' ILE . 8.6 mt -46.16 -65.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.69 ' HG ' HG22 ' A' ' 12' ' ' VAL . 57.5 mt -45.84 -28.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.32 -56.14 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -90.83 19.85 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.78 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -47.33 -28.83 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -40.77 65.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.9 mmtt -62.5 -49.57 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 73' ' ' ALA . 33.5 mt -43.43 124.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -132.81 117.83 18.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.909 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.8 m-85 -90.16 151.03 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.2 m -130.7 123.97 30.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 24' ' ' LEU . 49.0 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 63' ' ' SER . 37.8 mt -44.17 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 1.8 ttm105 -38.68 -47.85 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -47.78 82.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' LEU . 10.7 mt-30 -53.05 -59.83 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.663 HG22 ' HG ' ' A' ' 70' ' ' LEU . 17.9 t -60.06 -47.64 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -50.65 -24.84 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.06 -38.76 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 70' ' ' LEU . 57.4 tp -48.74 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -41.92 -43.31 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.81 ' HA ' HG23 ' A' ' 32' ' ' VAL . 76.3 m-20 -63.66 -57.22 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.1 -58.43 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -41.14 -50.24 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.819 ' HE1' HG21 ' A' ' 44' ' ' VAL . 6.4 t80 -39.76 -53.8 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -42.01 -36.74 1.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' GLY . 31.4 mt-10 -72.13 -55.63 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -45.31 -31.1 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.63 HD11 ' CE2' ' A' ' 20' ' ' TYR . 47.2 mt -96.58 -27.94 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.63 -12.04 62.92 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.709 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -44.07 165.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 4.0 mmtt -106.83 -34.98 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.9 p90 -83.67 163.81 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -99.28 159.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -106.51 135.18 48.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.81 HG23 ' HA ' ' A' ' 17' ' ' ASN . 54.2 t -77.73 129.33 76.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.92 75.49 3.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 21.0 m-30 -55.33 -35.83 65.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -61.91 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -58.26 -29.94 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.9 mt -74.81 -24.31 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -79.61 -56.56 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -42.65 93.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.25 113.58 33.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.18 16.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.64 51.25 3.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -109.93 -74.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.819 HG21 ' HE1' ' A' ' 20' ' ' TYR . 22.7 t -121.1 126.68 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.49 132.56 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.857 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 29.5 mt -114.55 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -134.33 166.29 23.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.3 -10.23 75.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.84 164.39 0.36 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.973 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.77 6.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.784 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.51 -5.38 57.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.973 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.9 mt -119.25 99.97 50.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -84.88 91.23 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -150.49 179.75 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 148.06 98.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -10.94 21.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.7 -39.9 80.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.2 p -73.66 -3.17 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -111.74 168.91 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -113.75 167.92 12.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 52.8 p -38.05 -60.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 109.954 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -43.19 -63.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.901 HD21 HG23 ' A' ' 53' ' ' ILE . 5.4 t-20 -49.2 -41.92 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 12' ' ' VAL . 66.4 mt -62.72 -64.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.06 -32.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.846 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 81.1 mtt180 -75.21 -52.68 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.632 HG23 ' CD1' ' A' ' 76' ' ' ILE . 24.2 mt -48.38 -61.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 12' ' ' VAL . 50.9 mt -52.29 -25.98 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.846 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.22 -54.87 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.472 HG21 ' CD ' ' A' ' 50' ' ' PRO . 26.8 m -90.99 19.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -44.96 -28.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -73.97 -45.92 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.2 mmtt -61.0 -52.63 64.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.632 ' CD1' HG23 ' A' ' 69' ' ' ILE . 61.3 mt -39.54 120.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -131.03 127.63 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.857 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -96.77 150.54 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.7 m -122.87 134.95 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 24' ' ' LEU . 81.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.4 mt -42.72 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.88 -45.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.37 -46.73 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.9 mt-30 -52.9 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.8 t -54.95 -48.74 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.06 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -40.61 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.716 HD11 ' HB1' ' A' ' 73' ' ' ALA . 51.5 tp -46.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' HE1' HD13 ' A' ' 76' ' ' ILE . 20.5 m-85 -49.36 -42.15 41.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -59.85 -39.31 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -59.09 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -44.96 -40.25 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.753 ' CG ' HG22 ' A' ' 32' ' ' VAL . 31.4 t80 -52.95 -55.98 19.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.57 -39.61 10.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -63.28 -49.63 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.11 -23.1 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.915 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.6 mt -100.88 -24.75 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 100.07 -15.26 59.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.695 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.2 mt -48.71 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 0.79 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 6.6 mmtp -111.28 -32.77 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 26' ' ' ILE . 19.0 p90 -83.82 163.6 48.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.629 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.7 t -96.75 159.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -102.71 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.753 HG22 ' CG ' ' A' ' 20' ' ' TYR . 77.6 t -58.72 133.51 86.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.04 74.21 4.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -54.09 -43.48 70.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -38.51 50.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.81 -27.59 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.59 -53.72 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -42.48 92.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -120.16 113.71 33.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.04 18.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.85 49.73 3.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.5 t -110.99 -74.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.589 ' C ' HD13 ' A' ' 45' ' ' ILE . 9.7 t -122.32 116.2 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.79 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -87.65 127.65 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.3 mt -111.45 118.74 58.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -133.75 163.94 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.51 72.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.48 164.56 0.32 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 123.0 7.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 -6.55 57.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -119.85 100.17 48.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.8 8.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.05 89.94 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -150.67 179.69 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -67.13 147.41 99.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -74.97 -10.85 21.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -68.83 -19.65 64.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 p -95.58 -7.42 37.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.2 m-30 -105.18 148.21 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.03 164.9 34.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 66' ' ' LEU . 35.8 p -41.79 -47.25 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -59.66 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -51.42 -38.81 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.489 HD22 HG21 ' A' ' 12' ' ' VAL . 70.8 mt -63.92 -63.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -37.67 -32.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 52.1 mtp180 -73.76 -57.3 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.649 HG23 HD11 ' A' ' 76' ' ' ILE . 5.1 mt -43.58 -63.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 12' ' ' VAL . 51.1 mt -49.52 -29.94 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -64.73 -54.53 30.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.409 HG21 ' CD ' ' A' ' 50' ' ' PRO . 29.4 m -91.83 21.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -47.97 -27.8 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -43.11 59.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.6 mmtt -60.84 -50.76 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 73' ' ' ALA . 47.8 mt -42.13 122.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -131.55 128.87 40.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -99.63 151.73 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -121.61 132.2 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.915 HG11 ' CD2' ' A' ' 24' ' ' LEU . 72.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.2 mt -41.36 -70.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 1.9 ttm105 -42.93 -41.3 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -39.28 85.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.3 mt-30 -58.99 -62.0 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' HG ' ' A' ' 70' ' ' LEU . 11.4 t -57.41 -45.43 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.35 -26.01 11.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.91 -39.04 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.614 HD22 HD23 ' A' ' 70' ' ' LEU . 52.5 tp -48.23 -71.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -42.97 -48.39 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.563 ' HA ' HG23 ' A' ' 32' ' ' VAL . 58.0 m-20 -57.14 -54.38 47.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -50.4 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -47.6 -46.5 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CG ' HG22 ' A' ' 32' ' ' VAL . 4.1 t80 -45.83 -57.22 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.78 -36.22 1.06 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -75.84 -52.19 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -22.77 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.84 ' CD2' HG11 ' A' ' 80' ' ' VAL . 43.9 mt -103.12 -28.35 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.09 -12.63 57.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.135 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.687 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.8 mt -48.9 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.5 mttt -109.49 -32.95 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.687 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.4 p90 -84.71 164.2 43.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.95 5.44 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.54 HG21 HD13 ' A' ' 26' ' ' ILE . 10.5 t -107.6 158.37 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -103.97 121.48 43.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.66 HG22 ' CG ' ' A' ' 20' ' ' TYR . 53.3 t -69.85 139.17 88.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.02 72.3 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.812 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -54.02 -55.68 25.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -64.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -33.77 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 HG12 ' A' ' 32' ' ' VAL . 12.7 mt -70.28 -25.18 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -79.83 -37.52 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -41.26 29.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -120.23 113.47 33.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.58 20.64 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.534 1.808 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.37 48.54 2.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -65.1 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 0.722 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 78' ' ' PHE . 17.5 t -129.74 117.81 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 5.6 mt -88.12 132.12 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.899 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.6 mt -116.61 123.86 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -137.0 162.73 32.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.36 71.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.43 165.04 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.95 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 169.01 23.56 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.47 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.48 -5.22 57.03 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.95 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -119.69 101.02 48.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 179.91 5.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -89.06 88.69 7.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -148.09 179.76 7.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 2.6 mttt -50.3 134.46 24.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -74.96 -47.6 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.0 p -58.86 -21.98 58.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -74.55 -10.77 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.16 175.62 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.1 163.09 26.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 p -45.44 -57.17 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.66 -58.41 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.899 HD21 HG23 ' A' ' 53' ' ' ILE . 4.3 t-20 -50.66 -41.37 55.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' O ' ' A' ' 58' ' ' PRO . 73.7 mt -63.59 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.94 -32.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.855 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 62.0 mtp85 -74.23 -52.42 12.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.719 HG23 HD11 ' A' ' 76' ' ' ILE . 20.0 mt -47.29 -63.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HG ' HG22 ' A' ' 12' ' ' VAL . 47.2 mt -51.03 -28.01 9.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -62.51 -52.56 62.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.478 HG21 ' CD ' ' A' ' 50' ' ' PRO . 24.6 m -94.7 20.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -43.74 -28.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -71.99 -49.08 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.3 mmtt -56.02 -52.12 65.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.719 HD11 HG23 ' A' ' 69' ' ' ILE . 38.0 mt -40.22 124.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -136.04 123.38 21.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.899 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -94.07 151.9 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 41.3 m -125.28 137.85 54.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.84 HG11 ' CD2' ' A' ' 24' ' ' LEU . 43.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.9 mt -40.55 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.51 -39.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -43.79 80.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' LEU . 15.8 mt-30 -54.19 -60.24 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' HG ' ' A' ' 70' ' ' LEU . 29.9 t -58.79 -53.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -44.66 -25.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 -43.58 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.679 HD22 HD23 ' A' ' 70' ' ' LEU . 54.2 tp -42.77 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.3 -34.7 16.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.565 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -65.1 -52.82 53.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -56.45 18.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -40.71 -34.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.603 ' CE2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -55.97 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.01 -33.24 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -76.44 -51.3 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -23.52 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.842 ' CD2' HG11 ' A' ' 80' ' ' VAL . 47.1 mt -102.45 -25.46 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 102.93 -20.48 43.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.683 HD13 HG21 ' A' ' 30' ' ' VAL . 8.6 mt -45.03 164.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -109.1 -31.58 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.67 ' CE1' HG21 ' A' ' 26' ' ' ILE . 13.3 p90 -87.61 164.16 35.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.683 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -110.26 159.56 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -84.82 156.27 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 17' ' ' ASN . 54.4 t -112.15 133.38 21.71 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 71.43 5.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' LYS . 38.7 m-85 -55.53 -52.94 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 2.9 tmtt? -48.57 -67.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -52.39 -33.43 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.84 -22.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -80.58 -37.73 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -79.57 -44.21 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -120.28 113.48 33.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.86 14.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.56 -24.97 71.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.78 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG21 ' HE1' ' A' ' 20' ' ' TYR . 9.6 t -127.44 119.88 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -87.92 127.69 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.919 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.6 mt -113.69 123.14 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -137.23 164.37 28.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.26 -10.34 73.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.74 164.82 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.006 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.02 23.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 123.57 7.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.42 -6.61 57.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.587 1.179 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.006 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.8 mt -120.01 101.36 47.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.05 7.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.603 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.44 91.16 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -151.17 178.4 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.69 149.86 91.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.03 -17.62 19.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.0 t -62.05 -26.79 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.0 p -90.65 -0.18 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.0 m-30 -111.73 132.45 54.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.19 164.0 54.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 p -43.52 -39.72 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.96 13.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -54.29 -38.86 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.528 HD22 HG21 ' A' ' 12' ' ' VAL . 76.2 mt -63.31 -64.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -38.55 -32.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.982 ' HD3' HD11 ' A' ' 53' ' ' ILE . 1.2 mtt-85 -73.47 -50.57 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.672 HG23 HD11 ' A' ' 76' ' ' ILE . 11.2 mt -50.82 -65.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.679 HD23 HD22 ' A' ' 15' ' ' LEU . 51.4 mt -46.43 -25.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.02 -56.68 9.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 21.9 m -91.51 19.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.651 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -45.26 -28.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -72.86 -45.82 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.0 mmtt -57.74 -51.03 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.672 HD11 HG23 ' A' ' 69' ' ' ILE . 37.3 mt -40.22 126.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.5 tttt -135.11 121.07 19.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.919 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -94.15 150.63 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -126.67 123.04 36.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.842 HG11 ' CD2' ' A' ' 24' ' ' LEU . 73.8 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.4 mt -39.99 -66.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 2.0 ttp-105 -41.88 -43.95 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.59 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 35.4 mt-30 -56.18 -58.37 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.623 HG22 ' HG ' ' A' ' 70' ' ' LEU . 20.2 t -60.82 -50.45 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -25.51 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.41 -37.76 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD22 HD23 ' A' ' 70' ' ' LEU . 28.7 tp -50.65 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -46.51 -34.07 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.573 ' HA ' HG23 ' A' ' 32' ' ' VAL . 3.2 m-20 -68.63 -58.64 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -53.19 -54.85 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -42.59 -42.62 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.623 ' CE2' HD11 ' A' ' 24' ' ' LEU . 5.8 t80 -46.48 -55.16 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -40.13 -38.72 1.35 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.26 -52.73 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.25 -31.12 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.814 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.2 mt -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.06 -18.91 44.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.692 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.5 mt -46.89 165.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.2 mmtp -107.99 -33.7 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.692 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.3 p90 -84.73 164.17 43.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 26' ' ' ILE . 10.0 t -112.04 159.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.17 157.18 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 17' ' ' ASN . 59.9 t -109.2 135.94 20.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.05 75.65 3.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 5.6 m-30 -57.11 -60.6 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -42.53 -65.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -52.05 -35.94 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.5 mt -71.2 -22.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -81.73 -46.25 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -45.04 50.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -120.23 113.37 33.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.05 15.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.59 -24.92 73.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -41.06 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 0.784 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 ' HE1' ' A' ' 20' ' ' TYR . 8.7 t -133.05 121.55 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.65 132.04 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.847 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 26.5 mt -116.26 125.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.2 mm-40 -138.68 164.0 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.19 -10.62 73.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -48.54 164.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.007 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 169.44 22.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 122.88 7.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.65 -6.71 57.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.007 HD12 ' HG2' ' A' ' 50' ' ' PRO . 21.9 mt -119.99 100.4 48.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.49 9.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.6 92.12 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -152.07 177.91 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HD2' ' CG ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -63.93 150.98 90.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.0 -20.37 16.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.803 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.5 -42.35 96.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.8 p -69.62 -10.67 59.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.1 m-30 -101.05 147.09 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.1 166.42 33.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.1 p -42.82 -44.26 4.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -59.58 -57.04 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 14.4 m-20 -52.67 -37.68 59.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 HG21 ' A' ' 12' ' ' VAL . 63.6 mt -63.49 -65.04 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.33 -32.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.956 ' HD3' HD11 ' A' ' 53' ' ' ILE . 9.2 mtp180 -73.48 -53.77 9.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.657 HG23 HD11 ' A' ' 76' ' ' ILE . 5.4 mt -49.3 -66.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.743 HD23 HD22 ' A' ' 15' ' ' LEU . 50.9 mt -45.1 -27.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -66.83 -54.95 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LYS . 28.0 m -93.87 18.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.785 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -44.39 -28.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -72.68 -47.42 47.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.9 mmtt -55.4 -50.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.2 mt -40.92 124.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.8 ttmt -133.91 122.2 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.847 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -93.92 150.38 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -126.56 116.88 21.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.814 HG11 ' CD2' ' A' ' 24' ' ' LEU . 50.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . 36.8 mt -39.88 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -42.2 -42.28 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -39.69 86.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.583 ' NE2' HD13 ' A' ' 70' ' ' LEU . 33.6 mt-30 -53.36 -57.54 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 70' ' ' LEU . 60.2 t -64.31 -54.91 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -28.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.31 -39.55 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 30.0 tp -48.39 -71.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -45.03 -35.13 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.676 ' HA ' HG23 ' A' ' 32' ' ' VAL . 8.5 m-20 -68.89 -61.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -56.05 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -41.61 -44.53 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.6 t80 -44.18 -53.88 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -38.57 -32.57 0.16 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.43 -53.2 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -30.61 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 20' ' ' TYR . 63.2 mt -97.4 -25.47 15.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 96.47 -12.05 66.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.69 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.8 mt -47.52 165.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmtp -107.52 -32.68 7.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.3 p90 -86.53 164.05 39.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.31 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -103.39 161.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -105.85 125.25 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.676 HG23 ' HA ' ' A' ' 17' ' ' ASN . 74.5 t -65.34 138.1 96.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.517 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.03 70.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 30.6 m-85 -53.99 -45.05 71.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -64.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -53.43 -36.04 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.433 HD11 ' HB ' ' A' ' 44' ' ' VAL . 17.9 mt -68.52 -27.35 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -58.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -41.34 86.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -120.18 113.4 34.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -16.5 20.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.39 45.28 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.69 -80.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 ' HE1' ' A' ' 20' ' ' TYR . 19.9 t -113.73 124.97 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt -91.61 133.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.905 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 25.0 mt -117.05 127.26 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.24 164.56 29.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.59 -10.44 74.08 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.05 164.53 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.991 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 169.05 23.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.88 7.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.62 -5.76 57.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.991 HD12 ' HG2' ' A' ' 50' ' ' PRO . 22.8 mt -119.87 101.54 47.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.75 8.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.599 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.86 87.58 7.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.72 179.87 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -64.65 147.08 98.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.04 -13.19 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.67 -36.2 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -78.64 -1.76 35.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.4 m-30 -109.65 154.54 22.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -100.54 162.66 18.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.423 ' HA ' HD12 ' A' ' 66' ' ' LEU . 35.8 p -39.19 -43.38 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -56.95 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -58.66 -37.85 76.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' ARG . 54.6 mt -64.42 -63.5 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.38 -33.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.846 ' HD3' HD11 ' A' ' 53' ' ' ILE . 13.0 mtp85 -73.74 -53.82 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.636 HG23 HD11 ' A' ' 76' ' ' ILE . 4.4 mt -48.64 -59.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' NE2' ' A' ' 11' ' ' GLN . 56.4 mt -50.17 -23.62 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -72.19 -56.94 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.19 21.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.718 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.88 -26.3 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -41.42 44.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -61.33 -50.31 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 73' ' ' ALA . 31.8 mt -40.96 123.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -131.8 123.22 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.905 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -95.25 151.93 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.9 m -125.52 132.9 52.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.651 HG11 ' CD2' ' A' ' 24' ' ' LEU . 69.3 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.0 mt -40.76 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.71 -44.66 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -42.69 95.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.9 mt-30 -55.86 -60.85 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.646 HG22 ' HG ' ' A' ' 70' ' ' LEU . 20.4 t -56.57 -50.87 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.66 -29.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.15 -43.73 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 ' HB1' ' A' ' 73' ' ' ALA . 47.8 tp -46.4 -71.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -40.37 -43.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.623 ' HA ' HG23 ' A' ' 32' ' ' VAL . 4.0 m-20 -63.75 -61.97 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -48.9 -52.35 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -46.08 -47.15 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.725 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.6 t80 -42.51 -56.14 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.9 -42.72 1.58 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.9 mt-10 -68.54 -54.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.734 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.64 -26.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.577 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.2 mt -100.61 -27.98 13.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.34 -16.56 52.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.683 HG21 ' CE1' ' A' ' 28' ' ' TYR . 6.9 mt -45.43 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 mttt -105.28 -31.8 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.683 ' CE1' HG21 ' A' ' 26' ' ' ILE . 12.1 p90 -89.62 164.18 30.26 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 125.63 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG21 HD13 ' A' ' 26' ' ' ILE . 7.4 t -115.66 158.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -89.27 155.4 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 20' ' ' TYR . 67.1 t -100.15 138.21 20.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.526 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.02 74.09 4.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.57 -50.81 67.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.7 mttt -51.19 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -52.4 -31.95 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.434 HD12 HG12 ' A' ' 32' ' ' VAL . 13.9 mt -73.62 -21.58 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -86.87 -57.53 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.46 97.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.15 113.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.1 48.02 3.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -104.25 -72.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.551 HG21 ' HE1' ' A' ' 20' ' ' TYR . 19.4 t -124.01 125.28 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.43 134.65 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.906 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 21.9 mt -118.22 128.59 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' LYS . 8.5 mm-40 -141.15 164.38 30.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.85 -10.21 74.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.54 164.53 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.03 168.98 23.62 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.439 1.757 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.83 7.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.76 -6.13 56.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.9 mt -119.9 99.28 49.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.55 18.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.59 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -76.71 83.73 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.36 178.9 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.36 140.06 25.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.496 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 24.9 p -55.32 -22.19 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -9.48 58.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 15.9 m-85 -106.5 154.74 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.41 159.87 53.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' HD12 ' A' ' 66' ' ' LEU . 57.7 p -46.18 -53.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.39 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 38.7 m-80 -56.26 -38.78 71.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 12' ' ' VAL . 72.3 mt -63.98 -63.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mt-10 -37.3 -32.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.843 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 46.6 mtp85 -73.46 -55.65 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 76' ' ' ILE . 11.4 mt -45.44 -65.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.646 ' HG ' HG22 ' A' ' 12' ' ' VAL . 51.7 mt -47.61 -28.38 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.843 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -66.91 -55.24 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -91.28 20.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.45 -27.62 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.7 mmtt -63.3 -48.29 78.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 73' ' ' ALA . 42.9 mt -43.71 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' GLU . 27.5 tttm -134.58 121.17 20.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -93.6 151.27 19.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 52.3 m -125.0 131.04 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 24' ' ' LEU . 68.1 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 8' ' ' LEU . 26.0 mt -41.45 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 8.5 ttp-105 -39.15 -54.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -51.08 58.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.9 -57.26 8.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 66' ' ' LEU . 46.6 t -60.59 -56.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -39.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.34 -41.64 32.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 HD23 ' A' ' 70' ' ' LEU . 47.5 tp -48.6 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -40.06 -44.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.529 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.8 m-80 -63.79 -58.46 6.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -53.75 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -43.62 -52.42 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.699 ' HE1' HG21 ' A' ' 44' ' ' VAL . 5.7 t80 -39.43 -58.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -37.72 -36.69 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.4 -53.13 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.25 -33.97 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 20' ' ' TYR . 51.5 mt -93.49 -27.55 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.1 -14.24 55.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.9 mt -47.89 165.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -108.35 -32.05 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 16.5 p90 -86.66 164.07 38.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.47 4.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.601 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -106.51 158.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -83.3 158.67 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' ' 20' ' ' TYR . 73.7 t -114.32 130.38 24.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.29 3.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' LYS . 4.4 m-30 -55.65 -59.62 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -66.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -50.9 -37.77 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 mt -68.03 -26.91 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -78.83 -48.33 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.71 -45.02 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -120.19 113.48 33.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.56 5.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.3 28.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -46.87 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.699 HG21 ' HE1' ' A' ' 20' ' ' TYR . 15.8 t -125.84 123.48 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 2.3 mt -92.47 130.63 41.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.876 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 28.3 mt -115.79 126.49 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.48 165.65 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.84 -10.38 74.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.97 164.36 0.29 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.974 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 169.29 22.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.94 7.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -5.89 57.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.974 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.93 101.4 47.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.96 90.41 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -151.65 -178.62 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 60' ' ' THR . 17.1 ptpt -66.49 155.75 87.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -0.11 9.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.9 -17.36 38.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 57' ' ' LYS . 3.2 p -88.98 -8.73 53.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE1' ' OG1' ' A' ' 60' ' ' THR . 6.2 m-85 -116.06 160.13 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.05 171.94 21.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -42.09 -58.09 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.73 -60.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 25.5 m-20 -51.93 -57.92 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 12' ' ' VAL . 60.1 mt -44.36 -60.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.51 -34.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.799 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 56.0 mtt180 -75.59 -55.93 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HG21 ' A' ' 53' ' ' ILE . 7.9 mt -42.75 -67.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.611 ' HG ' HG22 ' A' ' 12' ' ' VAL . 49.6 mt -46.57 -28.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -70.37 -53.69 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.2 m -90.32 19.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.579 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.5 -27.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -43.19 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.8 mmtt -59.12 -51.35 70.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 73' ' ' ALA . 27.0 mt -42.96 118.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -129.1 122.32 29.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.876 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -93.77 151.49 19.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 41.3 m -130.14 122.19 27.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.493 HG11 ' CD2' ' A' ' 24' ' ' LEU . 14.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.6 mt -48.79 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -52.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.5 -49.69 69.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.09 -56.12 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 70' ' ' LEU . 62.0 t -64.61 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -44.76 -25.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -93.65 -36.12 12.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' VAL . 42.0 tp -51.96 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -46.27 -35.27 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.594 ' HA ' HG23 ' A' ' 32' ' ' VAL . 60.2 m-20 -68.3 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -53.46 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -41.64 -48.73 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.649 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.8 t80 -37.82 -59.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.49 -38.24 0.62 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.12 -53.43 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.47 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 20' ' ' TYR . 53.2 mt -102.57 -25.2 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 97.78 -13.31 63.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.7 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.8 mt -47.98 165.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.89 -34.26 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.7 ' CE1' HG21 ' A' ' 26' ' ' ILE . 16.9 p90 -83.78 163.86 47.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.11 11.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 26' ' ' ILE . 8.3 t -121.94 157.84 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -103.27 130.99 50.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 20' ' ' TYR . 73.9 t -69.81 139.42 88.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 73.82 4.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -55.17 -42.15 72.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -66.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -54.38 -32.77 57.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 HG12 ' A' ' 32' ' ' VAL . 11.2 mt -70.98 -28.43 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.96 25.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -41.16 74.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -120.16 113.56 33.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.12 17.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.74 43.66 2.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.76 -76.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.479 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 17.0 t -118.9 126.53 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mt -92.75 133.35 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.921 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 21.5 mt -117.0 128.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.9 mm-40 -140.13 164.34 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.62 -10.73 73.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.04 164.43 0.3 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.029 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.63 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.55 -7.57 57.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.143 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.029 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.4 mt -119.99 99.9 48.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.32 8.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -79.86 90.7 5.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -151.84 178.58 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.87 151.94 84.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.4 Cg_endo -74.98 -15.43 20.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.7 p -65.92 -33.15 75.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.6 p -79.16 -2.29 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.2 m-30 -111.68 153.99 25.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.73 164.29 20.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.499 ' HA ' HD12 ' A' ' 66' ' ' LEU . 15.0 p -40.85 -47.77 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -53.91 -59.25 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.29 -45.68 62.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 63' ' ' SER . 46.2 mt -55.94 -60.99 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.49 -32.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.805 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 87.1 mtt180 -77.26 -54.93 5.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.661 HD11 HG21 ' A' ' 53' ' ' ILE . 5.4 mt -44.67 -63.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.548 ' CD2' HG22 ' A' ' 12' ' ' VAL . 43.9 mt -50.83 -25.67 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -70.42 -53.14 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.4 m -93.21 19.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.0 -28.4 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -38.75 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.4 mmtt -64.66 -50.24 67.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 73' ' ' ALA . 42.4 mt -40.61 126.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.6 tttp -136.63 118.97 15.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.921 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.9 m-85 -90.24 151.91 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -129.87 118.86 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 24' ' ' LEU . 5.6 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 35.9 mt -43.01 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -46.93 -34.37 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.51 -33.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.2 mt-30 -65.14 -62.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.715 HG22 ' HG ' ' A' ' 70' ' ' LEU . 12.5 t -55.41 -45.6 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -29.03 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.77 -38.93 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 46.0 tp -53.94 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CD2' ' HG3' ' A' ' 58' ' ' PRO . 5.8 m-30 -44.95 -32.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -71.46 -54.93 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -53.82 53.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -42.0 -51.97 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.777 ' HE1' HG21 ' A' ' 44' ' ' VAL . 6.9 t80 -44.09 -56.61 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.4 -36.39 0.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -71.53 -55.32 8.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -47.33 -25.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 20' ' ' TYR . 58.8 mt -100.88 -29.08 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.02 -18.91 45.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.706 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.3 mt -44.62 165.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -107.63 -34.03 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.706 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.9 p90 -84.51 163.37 47.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.17 3.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.6 t -97.27 162.66 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 158.18 17.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.519 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.3 t -109.51 122.61 38.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 82.15 2.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.19 -47.55 85.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -50.2 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -53.62 -29.61 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.21 -21.57 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -56.12 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.0 m -58.51 -40.38 82.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.12 113.48 34.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -18.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.8 38.76 3.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.72 -76.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.777 HG21 ' HE1' ' A' ' 20' ' ' TYR . 10.5 t -121.81 120.98 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.817 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -89.52 126.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.886 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 20.4 mt -112.36 121.53 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 77' ' ' LYS . 19.6 mm-40 -136.05 164.33 28.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.98 -10.38 73.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -49.58 164.29 0.34 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.025 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.94 169.21 23.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.75 8.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -7.23 57.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.025 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.5 mt -119.81 100.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.97 178.43 7.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.43 91.25 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -150.9 -179.13 7.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -51.0 139.35 23.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HG3' ' CD2' ' A' ' 16' ' ' PHE . 18.3 Cg_endo -74.97 -57.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.764 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 9' ' ' ARG . 30.3 p -54.82 -22.1 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.98 -7.86 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 19.2 m-85 -108.45 165.68 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.31 159.31 40.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.56 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.8 p -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -51.6 35.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 7.2 m-20 -58.47 -38.65 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 63' ' ' SER . 66.2 mt -62.64 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.69 -32.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.968 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -73.47 -50.09 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.607 HG23 HD11 ' A' ' 76' ' ' ILE . 18.3 mt -51.37 -68.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.715 ' HG ' HG22 ' A' ' 12' ' ' VAL . 52.9 mt -44.39 -26.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.55 -57.09 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.449 HG21 ' CD ' ' A' ' 50' ' ' PRO . 31.4 m -91.63 20.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.707 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.53 -28.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -44.61 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.5 mmtt -59.83 -51.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 73' ' ' ALA . 29.3 mt -40.7 121.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 59.2 tttt -131.08 129.98 42.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.886 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -102.16 150.56 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 3.3 m -124.9 140.96 52.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' HB1' ' A' ' 23' ' ' ALA . 67.7 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' GLN . 57.9 mt -45.09 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.78 -36.84 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.55 -40.98 80.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . 7.2 mt-30 -56.23 -62.18 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.625 HG22 ' HG ' ' A' ' 70' ' ' LEU . 29.8 t -53.76 -54.37 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -26.92 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -91.43 -43.98 9.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD22 HD23 ' A' ' 70' ' ' LEU . 54.2 tp -45.12 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.4 m-85 -50.3 -46.56 55.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.94 -40.64 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -72.53 -60.88 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -43.34 -42.2 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.644 ' CG ' HG22 ' A' ' 32' ' ' VAL . 13.8 t80 -47.93 -59.19 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.9 -41.31 13.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -62.41 -48.88 77.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -62.05 -15.47 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.743 HD23 HG11 ' A' ' 80' ' ' VAL . 46.2 mt -106.25 -12.9 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 91.95 -29.18 7.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.5 mt -44.91 165.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.2 mtmt -111.01 -35.06 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.689 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.6 p90 -81.13 163.46 55.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.1 t -97.64 159.67 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.09 135.0 34.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.644 HG22 ' CG ' ' A' ' 20' ' ' TYR . 55.0 t -95.2 117.37 66.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 77.55 3.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 56.5 m-85 -58.7 -43.67 90.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -56.27 -34.35 66.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 17.0 mt -70.86 -27.97 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -74.01 -53.68 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -66.91 -40.34 87.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -120.21 113.53 33.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.5 10.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -40.25 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.638 HG21 ' HE1' ' A' ' 20' ' ' TYR . 10.3 t -132.74 120.06 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mt -94.39 128.36 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.888 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 27.6 mt -110.77 123.79 66.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.6 mm-40 -136.19 162.77 32.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.7 68.42 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.27 164.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 168.59 24.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.26 7.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.65 57.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.985 HD11 ' HD3' ' A' ' 68' ' ' ARG . 16.2 mt -120.07 100.62 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -81.55 87.27 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -142.7 179.66 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 146.96 92.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -74.97 -8.16 19.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.67 -35.59 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -76.57 -4.85 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.0 m-30 -103.29 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -109.08 159.71 13.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.6 p -39.34 -46.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 110.048 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -58.59 7.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -54.9 -38.76 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.337 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 12' ' ' VAL . 78.9 mt -62.17 -64.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.73 -31.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.985 ' HD3' HD11 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -75.05 -49.85 18.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.643 HG23 HD11 ' A' ' 76' ' ' ILE . 8.3 mt -49.92 -64.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.625 ' HG ' HG22 ' A' ' 12' ' ' VAL . 45.7 mt -48.99 -26.49 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.883 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -63.92 -56.07 17.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' CD ' ' A' ' 50' ' ' PRO . 27.3 m -91.17 20.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -45.42 -27.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -47.92 36.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ILE . 9.3 mmtt -56.18 -51.31 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.643 HD11 HG23 ' A' ' 69' ' ' ILE . 41.8 mt -39.87 127.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.5 tttt -138.83 123.42 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.888 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -92.84 151.31 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.8 m -122.22 130.04 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.743 HG11 HD23 ' A' ' 24' ' ' LEU . 69.6 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.9 mt -42.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.63 -39.27 1.03 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -44.93 77.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 21.0 mt-30 -52.56 -60.37 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.701 HG22 ' HG ' ' A' ' 70' ' ' LEU . 7.7 t -57.94 -45.53 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -48.95 -29.84 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.57 -38.72 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD22 HD23 ' A' ' 70' ' ' LEU . 57.9 tp -51.36 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 109.313 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -43.7 -36.56 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.587 ' HA ' HG23 ' A' ' 32' ' ' VAL . 38.0 m-20 -69.08 -55.22 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.17 -54.49 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 18.0 mmtt -40.27 -43.81 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.746 ' HE1' HG21 ' A' ' 44' ' ' VAL . 5.2 t80 -50.79 -57.33 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.22 -36.22 0.54 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.8 mt-10 -70.56 -56.44 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.726 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -44.83 -36.56 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 20' ' ' TYR . 49.1 mt -89.98 -28.6 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 99.92 -11.45 60.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.684 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.4 mt -44.91 165.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmpt? -107.03 -32.67 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.684 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.8 p90 -86.71 164.14 38.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 26' ' ' ILE . 11.4 t -107.5 160.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.62 148.15 24.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.687 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.6 t -89.01 136.73 30.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.98 73.28 4.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -54.88 -35.29 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -62.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -56.95 -27.19 60.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.44 HD12 ' CG1' ' A' ' 32' ' ' VAL . 17.2 mt -77.7 -21.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.94 -55.88 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -61.0 -41.93 97.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.962 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -120.14 113.44 34.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.01 12.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.3 46.88 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.0 m -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.746 HG21 ' HE1' ' A' ' 20' ' ' TYR . 11.7 t -118.09 120.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.82 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -88.31 128.19 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.914 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.7 mt -114.36 118.89 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -134.28 164.11 28.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.72 70.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -48.49 164.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.976 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.53 -6.29 57.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.976 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -119.8 99.59 49.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.57 0.806 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.75 17.71 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.511 1.796 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.06 85.53 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -144.96 179.6 7.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.38 141.71 15.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.444 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.97 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.57 -26.13 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -68.56 -13.33 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.2 m-85 -105.09 144.37 31.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 161.8 34.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' HD12 ' A' ' 66' ' ' LEU . 50.6 p -47.83 -50.08 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -51.91 43.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 31.9 m-80 -59.08 -37.87 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 12' ' ' VAL . 83.9 mt -63.87 -63.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -36.95 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.848 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 52.8 mtp85 -73.67 -54.32 8.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.588 HG23 HD11 ' A' ' 76' ' ' ILE . 16.2 mt -45.69 -66.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.701 ' HG ' HG22 ' A' ' 12' ' ' VAL . 60.1 mt -46.75 -29.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.83 -54.85 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.3 m -91.54 20.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.685 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.76 -27.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.51 -43.08 60.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.9 mmtt -60.09 -51.7 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 73' ' ' ALA . 24.3 mt -41.08 122.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 31.1 tttt -131.71 123.86 28.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.914 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -96.9 149.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 3.2 m -123.97 144.64 49.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.542 HG23 ' HB1' ' A' ' 23' ' ' ALA . 73.9 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 28.0 mt -40.4 -70.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -40.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -44.2 84.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 12.2 mt-30 -53.54 -60.06 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.8 t -57.48 -51.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -29.67 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -89.47 -33.97 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 73' ' ' ALA . 52.3 tp -55.22 -71.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -48.86 -31.98 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 7.8 m-20 -70.05 -59.92 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.59 -55.28 31.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 26.9 mmtt -40.24 -43.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.7 t80 -47.68 -57.87 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -39.02 -36.03 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . 66.1 mt-10 -75.47 -55.49 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -31.64 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.948 ' CD2' HG11 ' A' ' 80' ' ' VAL . 28.4 mt -94.64 -29.08 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 102.44 -13.91 56.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.8 mt -45.99 165.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.64 -33.48 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.7 p90 -85.39 164.46 40.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 26' ' ' ILE . 11.0 t -108.0 161.25 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -107.65 133.55 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG22 ' CD1' ' A' ' 20' ' ' TYR . 72.0 t -73.43 136.0 78.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 72.49 4.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -53.79 -54.43 38.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -45.43 -66.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -53.32 -31.28 43.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.454 HD12 HG12 ' A' ' 32' ' ' VAL . 11.1 mt -72.38 -23.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -79.37 -47.63 15.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 m -66.9 -43.65 82.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -120.17 113.33 34.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.54 14.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.417 1.746 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.51 43.29 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.68 -72.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.4 t -121.0 120.41 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -88.2 134.09 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.841 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -120.12 128.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -141.75 161.94 36.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.03 -10.73 69.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -47.64 164.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 168.84 23.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.92 6.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.88 -4.88 56.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 18.1 mt -119.86 102.04 47.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.87 12.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CE1' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -79.35 83.88 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -144.12 -179.78 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -68.22 149.88 97.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.608 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.08 -11.44 21.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.89 -43.81 97.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 p -75.93 -2.24 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.608 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.2 m-30 -103.43 154.32 19.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.11 164.8 18.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 p -45.62 -39.09 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -53.99 47.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.57 -39.26 87.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.596 HD22 HG21 ' A' ' 12' ' ' VAL . 70.9 mt -62.24 -63.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -36.9 -34.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.6 mtp85 -74.09 -54.71 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.678 HD11 HG21 ' A' ' 53' ' ' ILE . 4.0 mt -44.75 -66.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 12' ' ' VAL . 50.5 mt -46.6 -28.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.61 -53.75 25.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 75' ' ' LYS . 19.5 m -91.81 20.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.45 -27.13 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -40.62 60.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 mmtt -62.32 -50.01 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 73' ' ' ALA . 41.5 mt -43.01 129.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.4 tttm -138.56 117.86 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -90.9 151.52 21.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.6 m -124.36 127.16 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 24' ' ' LEU . 70.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 mt -40.71 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.1 ttm105 -39.04 -46.54 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.43 -44.86 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -52.04 -58.85 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.661 HG22 ' HG ' ' A' ' 70' ' ' LEU . 12.3 t -60.15 -44.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -24.71 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -93.88 -41.49 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 70' ' ' LEU . 57.4 tp -47.06 -71.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' HE1' HD13 ' A' ' 76' ' ' ILE . 9.6 m-30 -45.79 -48.35 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -56.58 -37.72 70.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.75 -62.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -43.59 -41.26 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.809 ' CG ' HG22 ' A' ' 32' ' ' VAL . 33.1 t80 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -37.37 -40.51 0.64 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 47.9 mt-10 -65.32 -52.94 50.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.7 -26.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.91 ' CD2' HG11 ' A' ' 80' ' ' VAL . 59.2 mt -99.56 -30.52 12.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 108.64 -21.26 28.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.7 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.1 mt -45.13 165.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -109.7 -36.34 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.7 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.8 p90 -80.25 163.76 55.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.14 3.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.612 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.6 t -98.68 158.54 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.2 109.72 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.809 HG22 ' CG ' ' A' ' 20' ' ' TYR . 76.3 t -55.67 140.56 66.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 70.1 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -54.8 -55.77 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -29.95 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.452 HD12 HG12 ' A' ' 32' ' ' VAL . 16.8 mt -72.49 -22.4 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -85.05 -53.2 5.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -63.64 -43.93 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -120.14 113.49 34.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.09 20.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.62 50.29 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -110.03 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.5 t -120.89 120.06 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.09 133.85 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.944 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 19.6 mt -116.73 127.1 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.84 166.17 24.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.77 -10.81 73.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.44 HD23 ' CG1' ' A' ' 76' ' ' ILE . 11.7 mt -49.13 164.1 0.32 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.961 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 168.96 23.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.41 -6.28 57.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.961 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.2 mt -119.52 99.41 49.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 170.48 20.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.53 86.61 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.5 mmt-85 -145.86 -179.9 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -51.09 141.0 20.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.456 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.05 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.768 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.408 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 7.6 p -53.54 -25.75 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -6.89 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.5 m-85 -113.19 153.05 28.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.84 164.22 53.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' HD12 ' A' ' 66' ' ' LEU . 16.9 p -49.74 -46.02 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -53.17 -55.09 26.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.6 m-80 -56.06 -37.67 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 12' ' ' VAL . 80.3 mt -64.87 -63.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.43 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 90.7 mtt180 -74.27 -52.7 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' A' ' 76' ' ' ILE . 17.1 mt -48.36 -63.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.661 ' HG ' HG22 ' A' ' 12' ' ' VAL . 55.9 mt -49.66 -24.68 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -69.74 -56.15 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' LYS . 27.8 m -90.17 18.04 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -45.57 -27.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -71.18 -45.76 62.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.3 mptt -61.86 -50.86 70.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.755 ' CD1' HG23 ' A' ' 69' ' ' ILE . 55.1 mt -39.78 116.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -129.1 128.22 43.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.944 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -97.96 150.53 21.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.5 m -122.48 134.14 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.91 HG11 ' CD2' ' A' ' 24' ' ' LEU . 78.3 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 8' ' ' LEU . 22.4 mt -42.37 -71.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.45 -47.54 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.4 mt-30 -54.27 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.666 HG22 ' HG ' ' A' ' 70' ' ' LEU . 39.9 t -56.1 -55.62 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.46 -38.69 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -79.62 -36.19 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD22 HD23 ' A' ' 70' ' ' LEU . 45.4 tp -54.48 -71.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -41.96 -35.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.71 ' HA ' HG23 ' A' ' 32' ' ' VAL . 86.8 m-20 -72.45 -59.92 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 -58.42 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -41.51 -49.31 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.711 ' CD1' HG22 ' A' ' 32' ' ' VAL . 3.2 t80 -39.31 -54.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.33 -33.34 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.84 -54.02 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 0.741 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.948 ' CD2' HG11 ' A' ' 80' ' ' VAL . 52.4 mt -78.75 -24.55 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.13 69.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.714 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -43.92 165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 tttp -105.42 -35.17 7.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.714 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.1 p90 -84.37 163.9 45.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 114.66 4.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -101.99 160.19 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -106.6 131.12 54.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 20' ' ' TYR . 77.6 t -71.25 134.31 85.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.96 72.48 4.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -54.87 -48.15 73.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.38 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.89 -30.17 61.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.418 HD12 HG12 ' A' ' 32' ' ' VAL . 21.5 mt -73.24 -27.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -46.79 21.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -42.69 73.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.11 113.39 34.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.75 7.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.74 48.5 4.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 p -108.37 -71.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.6 t -118.82 126.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.48 130.81 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.925 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 22.7 mt -114.34 129.83 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.45 165.15 28.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.65 -10.39 74.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.4 mt -49.1 163.72 0.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.951 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.06 169.93 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.7 56.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.951 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -119.8 99.35 49.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 175.47 11.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.52 85.6 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.93 178.66 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -65.86 150.4 96.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -15.69 20.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 60' ' ' THR . 18.0 p -66.43 -39.72 89.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.463 HG23 ' SG ' ' A' ' 59' ' ' CYS . 59.5 p -72.64 -8.17 53.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 69' ' ' ILE . 18.4 m-30 -102.82 162.77 12.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.29 166.4 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 p -42.95 -47.36 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -63.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -49.73 -55.32 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 HG21 ' A' ' 12' ' ' VAL . 57.7 mt -45.9 -62.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -36.7 -34.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.799 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 26.3 mtt85 -77.33 -52.8 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 61' ' ' PHE . 19.5 mt -44.18 -62.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.738 HD23 HD22 ' A' ' 15' ' ' LEU . 41.1 mt -52.61 -26.73 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.59 -54.74 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG21 ' CD ' ' A' ' 50' ' ' PRO . 29.8 m -88.06 15.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -43.79 -27.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -72.29 -49.28 35.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 mptt -60.77 -53.43 57.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 73' ' ' ALA . 19.2 mt -38.6 109.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -123.6 129.95 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.925 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.8 m-85 -98.92 151.17 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 32.6 m -121.84 126.62 49.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 24' ' ' LEU . 74.5 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' GLN . 45.5 mt -40.25 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.756 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -42.66 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -43.79 87.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -55.06 -51.32 66.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.515 HG22 ' CD2' ' A' ' 70' ' ' LEU . 58.3 t -67.08 -53.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -45.63 -25.06 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -94.68 -37.26 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.585 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 35.3 tp -50.71 -71.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -47.41 -37.79 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.759 ' HA ' HG23 ' A' ' 32' ' ' VAL . 59.3 m-20 -64.42 -58.04 7.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -55.82 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -41.63 -46.38 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.0 t80 -39.02 -55.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.71 -42.73 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.9 mt-10 -71.39 -54.52 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.87 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.785 HD21 HG21 ' A' ' 80' ' ' VAL . 48.8 mt -100.64 -29.22 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 105.35 -13.4 47.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.728 HD13 HG21 ' A' ' 30' ' ' VAL . 7.4 mt -48.32 164.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.3 -31.33 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.677 ' CE1' HG21 ' A' ' 26' ' ' ILE . 13.5 p90 -88.31 163.91 34.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 117.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.728 HG21 HD13 ' A' ' 26' ' ' ILE . 12.1 t -107.97 160.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -102.67 135.36 44.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.759 HG23 ' HA ' ' A' ' 17' ' ' ASN . 55.5 t -75.8 140.14 70.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.05 73.0 4.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -55.0 -53.11 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -47.59 -64.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -54.56 -32.93 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD12 HG12 ' A' ' 32' ' ' VAL . 11.9 mt -71.39 -22.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -82.78 -45.38 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -70.34 -43.22 70.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.25 113.35 33.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.4 14.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.1 47.76 3.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.89 -70.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 78' ' ' PHE . 21.5 t -120.97 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 4.2 mt -90.53 133.64 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.887 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 26.4 mt -118.32 129.13 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.4 mm-40 -142.97 162.34 35.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.32 -10.39 71.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.42 164.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.035 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 169.37 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.778 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.83 8.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.24 -6.98 58.23 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.035 HD12 ' HG2' ' A' ' 50' ' ' PRO . 22.9 mt -119.87 100.9 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.85 8.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.44 89.52 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -149.09 179.52 7.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -62.78 149.9 88.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -75.01 -12.67 21.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 60' ' ' THR . 14.7 p -70.04 -40.2 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 59' ' ' CYS . 75.2 p -71.55 -5.04 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 14.1 m-30 -104.9 163.29 12.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 163.48 13.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 66' ' ' LEU . 24.6 p -40.31 -55.31 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -49.53 -57.06 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.32 -40.6 62.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 63' ' ' SER . 60.7 mt -62.04 -62.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.93 -32.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.841 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 38.0 mtp85 -74.61 -56.85 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 76' ' ' ILE . 8.2 mt -44.76 -65.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 12' ' ' VAL . 49.0 mt -45.44 -28.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.12 -55.62 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' LYS . 24.4 m -90.88 19.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.85 -26.09 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -39.67 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 13.1 mmtt -62.45 -51.17 68.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 73' ' ' ALA . 27.4 mt -40.86 125.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.3 ttmt -133.91 114.41 13.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.887 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -86.39 152.69 22.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -130.29 123.21 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.785 HG21 HD21 ' A' ' 24' ' ' LEU . 17.6 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.3 mt -40.91 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.734 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -46.27 -32.99 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' GLY . 3.5 mm-40 -77.08 -33.23 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mt-30 -61.79 -53.34 57.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG11 ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -66.17 -52.92 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -45.34 -26.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.1 -42.75 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.614 HD11 ' HB1' ' A' ' 73' ' ' ALA . 30.0 tp -43.11 -71.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -43.96 -49.67 8.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.894 ' HA ' HG23 ' A' ' 32' ' ' VAL . 71.6 m-20 -55.54 -54.05 48.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -40.88 -42.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.824 ' CD1' HG22 ' A' ' 32' ' ' VAL . 3.1 t80 -42.94 -47.67 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -46.32 -28.11 3.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 60.7 mt-10 -79.45 -58.04 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.99 -26.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 80' ' ' VAL . 37.6 mt -101.67 -28.01 12.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.79 -15.07 61.26 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -43.83 165.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.3 mmtp -107.97 -33.64 7.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.6 p90 -84.81 163.99 44.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.567 1.825 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 26' ' ' ILE . 10.9 t -102.62 159.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -105.2 124.4 49.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.894 HG23 ' HA ' ' A' ' 17' ' ' ASN . 74.7 t -66.11 135.14 95.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.97 74.47 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.6 m-85 -55.76 -56.54 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -44.81 -61.33 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -57.18 -34.05 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.404 HD12 HG12 ' A' ' 32' ' ' VAL . 10.7 mt -71.95 -22.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -82.87 -44.16 15.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -41.21 66.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -120.27 113.49 33.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.51 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.08 50.16 3.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.95 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.546 HG21 ' HE1' ' A' ' 20' ' ' TYR . 18.2 t -127.26 121.35 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.743 HD12 ' HB ' ' A' ' 79' ' ' THR . 1.1 mp -88.0 135.91 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.889 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 24.0 mt -118.51 121.02 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -134.33 166.04 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.69 -11.14 72.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.16 163.89 0.33 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.978 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 169.32 22.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.474 1.776 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.2 8.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.66 -6.0 58.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.978 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.91 101.13 48.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.477 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -75.01 179.38 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -88.19 87.67 7.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.82 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.1 mtmt -49.56 136.79 17.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.541 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.462 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.5 t -56.42 -21.64 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.52 -11.5 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -103.44 168.62 9.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.81 153.41 29.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.612 ' HA ' HD12 ' A' ' 66' ' ' LEU . 67.6 p -45.71 -47.28 15.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 110.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -49.1 61.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.25 -39.98 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 63' ' ' SER . 49.1 mt -60.89 -60.8 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.86 -32.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.808 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 62.5 mtp180 -75.1 -55.91 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.65 HG23 ' CD1' ' A' ' 76' ' ' ILE . 15.4 mt -45.55 -63.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 12' ' ' VAL . 46.6 mt -48.93 -23.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -75.95 -50.42 15.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' LYS . 18.5 m -95.12 19.99 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.721 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.32 -23.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -75.06 -40.62 60.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.3 mptt -63.09 -52.12 63.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 73' ' ' ALA . 23.3 mt -40.16 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -126.69 116.33 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.889 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -87.06 151.09 23.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.743 ' HB ' HD12 ' A' ' 45' ' ' ILE . 82.0 m -122.65 133.2 54.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 24' ' ' LEU . 78.4 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.48 169.71 8.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.95 161.78 42.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.45 138.46 4.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -130.75 159.9 35.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -152.39 83.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.62 138.2 4.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.098 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 8' ' ' LEU . 19.6 mt -42.16 -72.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -38.8 -50.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -48.49 70.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -53.03 -52.42 58.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 70' ' ' LEU . 59.7 t -66.43 -56.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -41.82 -28.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' VAL . 6.1 t0 -91.81 -41.88 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 38.4 tp -45.56 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -45.51 -29.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.627 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.6 m-20 -74.28 -64.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -53.62 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -45.77 -48.11 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.705 ' CD1' HG22 ' A' ' 32' ' ' VAL . 9.2 t80 -38.72 -56.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -41.78 -38.68 2.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.6 -53.25 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.799 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.6 -37.48 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.81 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.7 mt -88.99 -31.56 18.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.05 -16.47 27.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.69 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.4 mt -46.24 165.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -107.95 -31.97 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 26' ' ' ILE . 14.2 p90 -87.27 164.04 37.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.689 HG21 HD13 ' A' ' 26' ' ' ILE . 11.4 t -105.81 159.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -91.26 149.11 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.705 HG22 ' CD1' ' A' ' 20' ' ' TYR . 53.4 t -94.17 135.22 24.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.91 73.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 22.1 m-30 -56.32 -52.73 63.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -47.17 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -54.98 -33.41 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.54 -26.76 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 1.4 mmmt -83.25 -55.9 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -44.78 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -120.17 113.49 34.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -21.26 16.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.98 45.57 3.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.8 m -105.24 -70.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' THR . 21.1 t -125.21 124.37 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt -89.88 134.19 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -118.05 123.49 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -136.39 164.85 27.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.29 -10.32 73.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.7 164.26 0.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.981 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 169.53 22.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 122.64 7.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.74 -6.32 57.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.981 HD12 ' HG2' ' A' ' 50' ' ' PRO . 16.3 mt -119.99 99.77 48.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.548 1.815 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.47 86.81 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -146.38 -179.91 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -66.27 149.53 97.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.06 -15.0 20.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.7 m -61.81 -36.53 81.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -80.44 -5.74 57.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.8 m-30 -103.64 142.26 34.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.96 166.82 35.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.422 ' HA ' HD12 ' A' ' 66' ' ' LEU . 6.2 p -46.23 -39.25 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -59.89 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.76 -45.42 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 12' ' ' VAL . 55.3 mt -55.83 -61.33 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.13 -32.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.818 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 56.6 mtt-85 -77.99 -54.97 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 76' ' ' ILE . 13.2 mt -44.48 -64.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' HG22 ' A' ' 12' ' ' VAL . 47.0 mt -48.04 -27.9 2.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.97 -55.78 9.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.458 HG21 ' CD ' ' A' ' 50' ' ' PRO . 27.4 m -89.55 18.39 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.07 -28.2 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -41.08 56.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mmtt -61.84 -50.59 71.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.2 mt -41.09 121.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -130.19 120.25 24.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -91.98 152.18 20.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 88.3 m -126.52 126.71 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 24' ' ' LEU . 42.4 t -115.34 102.05 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 p -46.63 -52.76 12.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 18.2 mtm105 -42.0 158.11 0.21 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.74 9.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.56 177.54 7.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -112.64 -52.24 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.65 92.34 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.93 122.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.707 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.7 mp -48.57 142.2 8.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.2 Cg_endo -75.05 163.8 34.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -136.94 85.67 22.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.49 6.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.91 152.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' O ' ' CB ' ' A' ' 94' ' ' SER . 2.9 pt-20 -112.51 -37.02 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER 77.93 -175.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 139.71 -166.07 25.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 150.83 38.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.758 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.1 t -116.91 139.5 50.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.3 m -80.75 -58.75 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 63.64 124.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.953 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.69 136.71 9.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.41 144.74 7.85 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -166.66 170.03 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 p -143.22 119.05 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.86 124.52 3.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 29.5 mt -42.56 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.73 -41.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -44.85 93.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.6 mt-30 -54.24 -63.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.681 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.5 t -55.85 -46.96 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -36.44 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.3 -38.35 24.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD22 HD23 ' A' ' 70' ' ' LEU . 52.2 tp -51.39 -71.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -42.42 -40.67 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.628 ' HA ' HG23 ' A' ' 32' ' ' VAL . 56.1 m-20 -66.15 -56.03 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -52.7 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -43.41 -40.39 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.588 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.1 t80 -50.48 -50.17 53.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.1 -45.44 14.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -67.55 -55.79 12.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.44 -43.93 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.945 ' CD2' HG11 ' A' ' 80' ' ' VAL . 51.2 mt -82.63 -27.46 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.07 -15.19 55.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.739 HD13 HG21 ' A' ' 30' ' ' VAL . 7.1 mt -44.49 165.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -106.41 -31.86 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.693 ' CE1' HG21 ' A' ' 26' ' ' ILE . 12.9 p90 -88.22 164.46 33.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.48 4.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.739 HG21 HD13 ' A' ' 26' ' ' ILE . 12.1 t -109.03 160.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -99.1 152.21 20.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 17' ' ' ASN . 57.6 t -97.4 138.6 21.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 75.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -55.69 -53.37 57.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -65.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -53.5 -33.79 55.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 32' ' ' VAL . 12.5 mt -70.21 -24.31 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -78.86 -47.67 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.55 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -120.27 113.53 33.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.68 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.67 51.69 4.61 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.85 -61.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 t -129.15 120.48 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.5 132.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.858 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 25.1 mt -118.43 124.35 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -136.85 162.9 31.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.64 -10.46 70.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -48.7 164.7 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.008 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.456 1.766 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.48 7.25 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.54 1.811 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.72 -6.5 57.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.008 HD12 ' HG2' ' A' ' 50' ' ' PRO . 19.8 mt -119.99 100.01 48.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.91 10.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.53 88.23 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -147.53 179.59 7.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.34 147.23 98.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.24 19.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' A' ' 60' ' ' THR . 14.1 p -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.422 HG23 ' SG ' ' A' ' 59' ' ' CYS . 17.7 p -75.12 -2.86 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -109.77 164.32 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.36 166.16 14.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p -42.01 -51.92 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 29.3 m-80 -46.79 -54.76 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 12' ' ' VAL . 56.8 mt -46.97 -61.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -38.0 -33.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.831 ' HD3' HD11 ' A' ' 53' ' ' ILE . 45.5 mtp85 -76.6 -52.73 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.581 HG23 HD11 ' A' ' 76' ' ' ILE . 20.6 mt -45.65 -63.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.681 ' HG ' HG22 ' A' ' 12' ' ' VAL . 48.8 mt -51.28 -25.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -69.18 -54.19 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 25.0 m -91.23 20.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.619 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.92 -28.56 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 mmtt -62.01 -50.68 71.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 73' ' ' ALA . 38.5 mt -42.45 123.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 30.7 tttt -134.18 120.2 19.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.858 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -92.35 150.55 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -124.05 127.45 47.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.945 HG11 ' CD2' ' A' ' 24' ' ' LEU . 55.4 t -119.28 100.47 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' ARG . 77.2 p -41.49 -51.91 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' THR . 0.4 OUTLIER -38.9 157.14 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 102.35 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -100.24 175.98 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 64.41 147.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.17 -95.18 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.8 171.59 2.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.764 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.7 mp -127.51 141.03 39.67 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.2 Cg_endo -75.04 177.39 8.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -140.83 88.15 10.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.84 36.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.1 102.08 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -171.76 157.27 4.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.59 139.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.97 83.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.4 39.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.3 m -149.85 160.02 43.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 p -175.66 -58.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -84.94 140.87 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -154.02 142.55 20.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.72 96.77 2.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -157.11 138.31 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -167.95 113.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.3 121.36 4.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 8' ' ' LEU . 26.9 mt -42.84 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -43.95 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -43.73 93.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 31.3 mt-30 -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' HG ' ' A' ' 70' ' ' LEU . 16.4 t -57.59 -47.16 85.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -51.09 -27.64 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD11 ' HB1' ' A' ' 73' ' ' ALA . 49.8 tp -51.95 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.526 ' HE1' HD13 ' A' ' 76' ' ' ILE . 21.0 m-85 -51.3 -44.58 61.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.784 ' HA ' HG23 ' A' ' 32' ' ' VAL . 18.3 m-20 -56.19 -55.07 37.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -57.07 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -39.93 -39.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.706 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.9 t80 -45.2 -53.23 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -43.45 -35.21 2.73 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.03 -53.45 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.57 -25.96 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 20' ' ' TYR . 49.7 mt -100.54 -26.21 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.4 60.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.165 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.686 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -45.93 165.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.69 -32.94 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.686 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.9 p90 -85.97 164.13 40.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.32 6.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -113.12 159.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -104.28 128.45 52.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.784 HG23 ' HA ' ' A' ' 17' ' ' ASN . 69.6 t -67.87 139.98 93.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.594 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 70.28 5.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.74 -39.77 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -57.55 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -54.62 -34.21 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 32' ' ' VAL . 13.0 mt -69.19 -30.05 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -74.97 -51.99 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -66.08 -40.88 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -120.23 113.4 33.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.46 12.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.74 3.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -102.28 -74.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 13.1 t -120.57 128.09 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.04 131.9 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.909 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 24.7 mt -116.62 122.26 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -135.76 164.44 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.81 -10.45 73.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.3 164.55 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.981 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 168.83 23.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.59 7.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.31 -5.96 57.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.981 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.3 mt -119.89 101.9 47.34 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 179.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -87.1 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.62 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -51.05 141.24 19.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -52.23 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 p -53.79 -26.57 24.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -9.55 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -109.3 157.73 18.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.34 156.41 49.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.591 ' HA ' HD12 ' A' ' 66' ' ' LEU . 21.8 p -44.83 -47.75 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -53.89 32.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.14 -37.47 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 63' ' ' SER . 61.8 mt -64.21 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.83 -31.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.85 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 39.4 mtp85 -74.58 -55.98 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.679 HG23 HD11 ' A' ' 76' ' ' ILE . 8.6 mt -46.16 -65.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.69 ' HG ' HG22 ' A' ' 12' ' ' VAL . 57.5 mt -45.84 -28.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.32 -56.14 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -90.83 19.85 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.78 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -47.33 -28.83 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -40.77 65.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.9 mmtt -62.5 -49.57 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 73' ' ' ALA . 33.5 mt -43.43 124.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -132.81 117.83 18.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.909 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.8 m-85 -90.16 151.03 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.2 m -130.7 123.97 30.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 24' ' ' LEU . 49.0 t -107.43 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.5 p -47.8 -47.85 30.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.08 162.52 0.49 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.78 13.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.811 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -160.78 174.09 14.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -136.42 -59.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.61 165.1 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.155 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.32 136.73 33.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 89' ' ' PRO . 11.2 mt 62.32 142.81 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.4 Cg_endo -75.0 175.81 10.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.22 95.36 3.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -49.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.59 164.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -92.8 176.15 6.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.84 139.46 44.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.35 132.84 1.58 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.74 5.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.431 1.753 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.1 p -107.84 90.79 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.7 p -172.61 160.13 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 63.19 122.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 t -148.04 121.61 9.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.42 103.71 0.21 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -93.74 150.67 20.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 0.726 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -149.07 156.77 42.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.74 113.99 3.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 63' ' ' SER . 37.8 mt -44.17 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 1.8 ttm105 -38.68 -47.85 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -47.78 82.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' LEU . 10.7 mt-30 -53.05 -59.83 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.663 HG22 ' HG ' ' A' ' 70' ' ' LEU . 17.9 t -60.06 -47.64 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -50.65 -24.84 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.06 -38.76 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 70' ' ' LEU . 57.4 tp -48.74 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -41.92 -43.31 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.81 ' HA ' HG23 ' A' ' 32' ' ' VAL . 76.3 m-20 -63.66 -57.22 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.1 -58.43 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -41.14 -50.24 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.819 ' HE1' HG21 ' A' ' 44' ' ' VAL . 6.4 t80 -39.76 -53.8 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -42.01 -36.74 1.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' GLY . 31.4 mt-10 -72.13 -55.63 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -45.31 -31.1 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.63 HD11 ' CE2' ' A' ' 20' ' ' TYR . 47.2 mt -96.58 -27.94 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.63 -12.04 62.92 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.709 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -44.07 165.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 4.0 mmtt -106.83 -34.98 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.9 p90 -83.67 163.81 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -99.28 159.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -106.51 135.18 48.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.81 HG23 ' HA ' ' A' ' 17' ' ' ASN . 54.2 t -77.73 129.33 76.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.92 75.49 3.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 21.0 m-30 -55.33 -35.83 65.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -61.91 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -58.26 -29.94 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.9 mt -74.81 -24.31 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -79.61 -56.56 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -42.65 93.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.25 113.58 33.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.18 16.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.64 51.25 3.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -109.93 -74.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.819 HG21 ' HE1' ' A' ' 20' ' ' TYR . 22.7 t -121.1 126.68 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.49 132.56 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.857 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 29.5 mt -114.55 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -134.33 166.29 23.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.3 -10.23 75.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.84 164.39 0.36 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.973 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.77 6.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.784 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.51 -5.38 57.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.973 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.9 mt -119.25 99.97 50.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -84.88 91.23 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -150.49 179.75 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 148.06 98.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -10.94 21.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.7 -39.9 80.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.2 p -73.66 -3.17 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -111.74 168.91 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -113.75 167.92 12.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 52.8 p -38.05 -60.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 109.954 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -43.19 -63.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.901 HD21 HG23 ' A' ' 53' ' ' ILE . 5.4 t-20 -49.2 -41.92 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 12' ' ' VAL . 66.4 mt -62.72 -64.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.06 -32.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.846 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 81.1 mtt180 -75.21 -52.68 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.632 HG23 ' CD1' ' A' ' 76' ' ' ILE . 24.2 mt -48.38 -61.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 12' ' ' VAL . 50.9 mt -52.29 -25.98 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.846 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.22 -54.87 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.472 HG21 ' CD ' ' A' ' 50' ' ' PRO . 26.8 m -90.99 19.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -44.96 -28.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -73.97 -45.92 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.2 mmtt -61.0 -52.63 64.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.632 ' CD1' HG23 ' A' ' 69' ' ' ILE . 61.3 mt -39.54 120.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -131.03 127.63 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.857 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -96.77 150.54 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.7 m -122.87 134.95 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 24' ' ' LEU . 81.8 t -120.24 147.16 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 39.9 p -105.27 -47.04 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.37 164.42 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.24 25.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 84' ' ' PHE . 8.4 p90 -170.39 170.16 7.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -170.15 162.67 8.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.17 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.563 ' O ' HD22 ' A' ' 87' ' ' LEU . . . 102.58 95.3 2.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 86' ' ' GLY . 4.5 mm? -126.61 80.89 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.665 HG23 ' HD2' ' A' ' 89' ' ' PRO . 30.4 mm -65.43 141.78 98.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.4 Cg_endo -75.01 168.84 23.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -169.11 76.21 0.73 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.218 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.3 4.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -163.13 142.92 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -152.1 158.09 42.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.56 141.96 48.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.68 93.86 0.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.25 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.0 m 72.98 -62.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.5 t -171.41 -58.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m -145.61 130.07 17.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 t -113.29 134.19 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.06 -67.27 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.82 114.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.027 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.17 123.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.39 107.08 2.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.4 mt -42.72 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.88 -45.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.37 -46.73 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.9 mt-30 -52.9 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.8 t -54.95 -48.74 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.06 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -40.61 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.716 HD11 ' HB1' ' A' ' 73' ' ' ALA . 51.5 tp -46.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' HE1' HD13 ' A' ' 76' ' ' ILE . 20.5 m-85 -49.36 -42.15 41.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -59.85 -39.31 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -59.09 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -44.96 -40.25 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.753 ' CG ' HG22 ' A' ' 32' ' ' VAL . 31.4 t80 -52.95 -55.98 19.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.57 -39.61 10.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -63.28 -49.63 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.11 -23.1 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.915 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.6 mt -100.88 -24.75 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 100.07 -15.26 59.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.695 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.2 mt -48.71 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 0.79 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 6.6 mmtp -111.28 -32.77 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 26' ' ' ILE . 19.0 p90 -83.82 163.6 48.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.629 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.7 t -96.75 159.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -102.71 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.753 HG22 ' CG ' ' A' ' 20' ' ' TYR . 77.6 t -58.72 133.51 86.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.04 74.21 4.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -54.09 -43.48 70.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -38.51 50.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.81 -27.59 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.59 -53.72 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -42.48 92.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -120.16 113.71 33.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.04 18.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.85 49.73 3.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.5 t -110.99 -74.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.589 ' C ' HD13 ' A' ' 45' ' ' ILE . 9.7 t -122.32 116.2 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.79 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -87.65 127.65 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.3 mt -111.45 118.74 58.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -133.75 163.94 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.51 72.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.48 164.56 0.32 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 123.0 7.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 -6.55 57.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -119.85 100.17 48.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.8 8.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.05 89.94 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -150.67 179.69 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -67.13 147.41 99.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -74.97 -10.85 21.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -68.83 -19.65 64.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 p -95.58 -7.42 37.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.2 m-30 -105.18 148.21 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.03 164.9 34.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 66' ' ' LEU . 35.8 p -41.79 -47.25 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -59.66 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -51.42 -38.81 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.489 HD22 HG21 ' A' ' 12' ' ' VAL . 70.8 mt -63.92 -63.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -37.67 -32.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 52.1 mtp180 -73.76 -57.3 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.649 HG23 HD11 ' A' ' 76' ' ' ILE . 5.1 mt -43.58 -63.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 12' ' ' VAL . 51.1 mt -49.52 -29.94 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -64.73 -54.53 30.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.409 HG21 ' CD ' ' A' ' 50' ' ' PRO . 29.4 m -91.83 21.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -47.97 -27.8 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -43.11 59.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.6 mmtt -60.84 -50.76 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 73' ' ' ALA . 47.8 mt -42.13 122.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -131.55 128.87 40.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -99.63 151.73 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -121.61 132.2 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.915 HG11 ' CD2' ' A' ' 24' ' ' LEU . 72.9 t -124.01 126.21 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.2 p -88.1 -55.13 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 63.67 162.73 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 71.85 4.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 52.61 92.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 117.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.611 ' N ' HD13 ' A' ' 87' ' ' LEU . . . -134.88 62.94 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.75 138.58 42.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.4 mp -139.13 141.45 29.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.5 Cg_endo -75.01 141.96 27.22 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 tttt 40.78 83.49 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.52 5.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -168.04 138.52 2.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.14 163.48 39.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.09 142.94 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.06 -177.04 31.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.36 25.01 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.808 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.2 p -150.77 107.99 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -142.66 166.82 23.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -141.69 -58.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -59.04 5.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.22 -141.83 16.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.74 142.59 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.734 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.9 126.93 5.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . -61.04 155.99 34.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.2 mt -41.36 -70.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 1.9 ttm105 -42.93 -41.3 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -39.28 85.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.3 mt-30 -58.99 -62.0 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' HG ' ' A' ' 70' ' ' LEU . 11.4 t -57.41 -45.43 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.35 -26.01 11.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.91 -39.04 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.614 HD22 HD23 ' A' ' 70' ' ' LEU . 52.5 tp -48.23 -71.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -42.97 -48.39 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.563 ' HA ' HG23 ' A' ' 32' ' ' VAL . 58.0 m-20 -57.14 -54.38 47.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -50.4 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -47.6 -46.5 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CG ' HG22 ' A' ' 32' ' ' VAL . 4.1 t80 -45.83 -57.22 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.78 -36.22 1.06 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -75.84 -52.19 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -22.77 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.84 ' CD2' HG11 ' A' ' 80' ' ' VAL . 43.9 mt -103.12 -28.35 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.09 -12.63 57.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.135 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.687 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.8 mt -48.9 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.5 mttt -109.49 -32.95 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.687 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.4 p90 -84.71 164.2 43.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.95 5.44 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.54 HG21 HD13 ' A' ' 26' ' ' ILE . 10.5 t -107.6 158.37 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -103.97 121.48 43.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.66 HG22 ' CG ' ' A' ' 20' ' ' TYR . 53.3 t -69.85 139.17 88.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.02 72.3 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.812 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -54.02 -55.68 25.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -64.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -33.77 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 HG12 ' A' ' 32' ' ' VAL . 12.7 mt -70.28 -25.18 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -79.83 -37.52 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -41.26 29.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -120.23 113.47 33.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.58 20.64 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.534 1.808 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.37 48.54 2.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -65.1 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 0.722 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 78' ' ' PHE . 17.5 t -129.74 117.81 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 5.6 mt -88.12 132.12 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.899 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.6 mt -116.61 123.86 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -137.0 162.73 32.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.36 71.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.43 165.04 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.95 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 169.01 23.56 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.47 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.48 -5.22 57.03 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.95 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -119.69 101.02 48.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 179.91 5.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -89.06 88.69 7.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -148.09 179.76 7.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 2.6 mttt -50.3 134.46 24.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -74.96 -47.6 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.0 p -58.86 -21.98 58.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -74.55 -10.77 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.16 175.62 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.1 163.09 26.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 p -45.44 -57.17 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.66 -58.41 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.899 HD21 HG23 ' A' ' 53' ' ' ILE . 4.3 t-20 -50.66 -41.37 55.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' O ' ' A' ' 58' ' ' PRO . 73.7 mt -63.59 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.94 -32.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.855 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 62.0 mtp85 -74.23 -52.42 12.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.719 HG23 HD11 ' A' ' 76' ' ' ILE . 20.0 mt -47.29 -63.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HG ' HG22 ' A' ' 12' ' ' VAL . 47.2 mt -51.03 -28.01 9.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -62.51 -52.56 62.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.478 HG21 ' CD ' ' A' ' 50' ' ' PRO . 24.6 m -94.7 20.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -43.74 -28.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -71.99 -49.08 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.3 mmtt -56.02 -52.12 65.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.719 HD11 HG23 ' A' ' 69' ' ' ILE . 38.0 mt -40.22 124.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -136.04 123.38 21.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.899 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -94.07 151.9 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 41.3 m -125.28 137.85 54.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.84 HG11 ' CD2' ' A' ' 24' ' ' LEU . 43.6 t -130.72 100.32 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.7 p -45.02 -53.74 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.74 162.57 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.92 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.57 161.38 29.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -94.88 147.37 23.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.08 127.1 1.06 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.45 125.2 46.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.9 mp -78.13 141.41 62.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.4 Cg_endo -75.01 -175.95 2.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -130.19 81.54 68.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 118.7 5.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.443 1.76 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 54.33 97.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.88 117.49 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.63 120.06 6.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.46 -147.58 4.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.78 40.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.65 148.24 29.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.03 136.02 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -67.59 155.78 38.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -57.43 -57.24 13.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.67 -102.62 2.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.33 160.5 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -173.67 165.6 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.46 156.5 26.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.9 mt -40.55 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.51 -39.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -43.79 80.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' LEU . 15.8 mt-30 -54.19 -60.24 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' HG ' ' A' ' 70' ' ' LEU . 29.9 t -58.79 -53.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -44.66 -25.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 -43.58 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.679 HD22 HD23 ' A' ' 70' ' ' LEU . 54.2 tp -42.77 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.3 -34.7 16.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.565 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -65.1 -52.82 53.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -56.45 18.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -40.71 -34.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.603 ' CE2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -55.97 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.01 -33.24 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -76.44 -51.3 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -23.52 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.842 ' CD2' HG11 ' A' ' 80' ' ' VAL . 47.1 mt -102.45 -25.46 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 102.93 -20.48 43.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.683 HD13 HG21 ' A' ' 30' ' ' VAL . 8.6 mt -45.03 164.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -109.1 -31.58 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.67 ' CE1' HG21 ' A' ' 26' ' ' ILE . 13.3 p90 -87.61 164.16 35.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.683 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -110.26 159.56 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -84.82 156.27 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 17' ' ' ASN . 54.4 t -112.15 133.38 21.71 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 71.43 5.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' LYS . 38.7 m-85 -55.53 -52.94 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 2.9 tmtt? -48.57 -67.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -52.39 -33.43 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.84 -22.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -80.58 -37.73 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -79.57 -44.21 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -120.28 113.48 33.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.86 14.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.56 -24.97 71.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.78 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG21 ' HE1' ' A' ' 20' ' ' TYR . 9.6 t -127.44 119.88 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -87.92 127.69 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.919 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.6 mt -113.69 123.14 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -137.23 164.37 28.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.26 -10.34 73.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.74 164.82 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.006 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.02 23.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 123.57 7.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.42 -6.61 57.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.587 1.179 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.006 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.8 mt -120.01 101.36 47.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.05 7.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.603 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.44 91.16 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -151.17 178.4 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.69 149.86 91.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.03 -17.62 19.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.0 t -62.05 -26.79 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.0 p -90.65 -0.18 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.0 m-30 -111.73 132.45 54.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.19 164.0 54.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 p -43.52 -39.72 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.96 13.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -54.29 -38.86 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.528 HD22 HG21 ' A' ' 12' ' ' VAL . 76.2 mt -63.31 -64.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -38.55 -32.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.982 ' HD3' HD11 ' A' ' 53' ' ' ILE . 1.2 mtt-85 -73.47 -50.57 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.672 HG23 HD11 ' A' ' 76' ' ' ILE . 11.2 mt -50.82 -65.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.679 HD23 HD22 ' A' ' 15' ' ' LEU . 51.4 mt -46.43 -25.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.02 -56.68 9.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 21.9 m -91.51 19.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.651 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -45.26 -28.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -72.86 -45.82 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.0 mmtt -57.74 -51.03 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.672 HD11 HG23 ' A' ' 69' ' ' ILE . 37.3 mt -40.22 126.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.5 tttt -135.11 121.07 19.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.919 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -94.15 150.63 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -126.67 123.04 36.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.842 HG11 ' CD2' ' A' ' 24' ' ' LEU . 73.8 t -112.89 100.32 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.7 p -45.63 -54.56 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.57 150.83 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 132.22 15.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.8 92.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.38 139.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.66 59.33 0.69 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -142.19 110.45 6.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 89' ' ' PRO . 20.5 mm -109.68 142.52 25.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.0 Cg_endo -75.06 175.9 10.64 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 120.74 56.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.8 24.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.33 114.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.84 130.54 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 t -86.3 131.57 34.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.4 124.84 36.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.99 13.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -60.97 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.9 t -99.49 136.47 39.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -160.07 135.05 7.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.95 157.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.44 -71.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -39.41 136.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 p -143.24 139.55 30.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 136.22 81.59 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.4 mt -39.99 -66.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 2.0 ttp-105 -41.88 -43.95 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.59 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 35.4 mt-30 -56.18 -58.37 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.623 HG22 ' HG ' ' A' ' 70' ' ' LEU . 20.2 t -60.82 -50.45 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -25.51 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.41 -37.76 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD22 HD23 ' A' ' 70' ' ' LEU . 28.7 tp -50.65 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -46.51 -34.07 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.573 ' HA ' HG23 ' A' ' 32' ' ' VAL . 3.2 m-20 -68.63 -58.64 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -53.19 -54.85 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -42.59 -42.62 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.623 ' CE2' HD11 ' A' ' 24' ' ' LEU . 5.8 t80 -46.48 -55.16 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -40.13 -38.72 1.35 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.26 -52.73 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.25 -31.12 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.814 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.2 mt -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.06 -18.91 44.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.692 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.5 mt -46.89 165.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.2 mmtp -107.99 -33.7 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.692 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.3 p90 -84.73 164.17 43.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 26' ' ' ILE . 10.0 t -112.04 159.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.17 157.18 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 17' ' ' ASN . 59.9 t -109.2 135.94 20.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.05 75.65 3.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 5.6 m-30 -57.11 -60.6 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -42.53 -65.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -52.05 -35.94 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.5 mt -71.2 -22.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -81.73 -46.25 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -45.04 50.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -120.23 113.37 33.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.05 15.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.59 -24.92 73.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -41.06 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 0.784 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 ' HE1' ' A' ' 20' ' ' TYR . 8.7 t -133.05 121.55 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.65 132.04 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.847 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 26.5 mt -116.26 125.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.2 mm-40 -138.68 164.0 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.19 -10.62 73.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -48.54 164.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.007 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 169.44 22.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 122.88 7.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.65 -6.71 57.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.007 HD12 ' HG2' ' A' ' 50' ' ' PRO . 21.9 mt -119.99 100.4 48.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.49 9.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.6 92.12 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -152.07 177.91 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HD2' ' CG ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -63.93 150.98 90.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.0 -20.37 16.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.803 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.5 -42.35 96.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.8 p -69.62 -10.67 59.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.1 m-30 -101.05 147.09 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.1 166.42 33.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.1 p -42.82 -44.26 4.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -59.58 -57.04 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 14.4 m-20 -52.67 -37.68 59.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 HG21 ' A' ' 12' ' ' VAL . 63.6 mt -63.49 -65.04 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.33 -32.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.956 ' HD3' HD11 ' A' ' 53' ' ' ILE . 9.2 mtp180 -73.48 -53.77 9.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.657 HG23 HD11 ' A' ' 76' ' ' ILE . 5.4 mt -49.3 -66.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.743 HD23 HD22 ' A' ' 15' ' ' LEU . 50.9 mt -45.1 -27.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -66.83 -54.95 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LYS . 28.0 m -93.87 18.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.785 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -44.39 -28.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -72.68 -47.42 47.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.9 mmtt -55.4 -50.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.2 mt -40.92 124.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.8 ttmt -133.91 122.2 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.847 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -93.92 150.38 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -126.56 116.88 21.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.814 HG11 ' CD2' ' A' ' 24' ' ' LEU . 50.9 t -104.63 111.75 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 p -67.86 -46.81 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.34 163.98 0.22 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.83 28.32 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -80.21 -53.06 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 44.15 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.92 -152.09 8.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 172.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.626 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.1 mp -68.24 141.27 93.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.97 -170.9 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.446 1.761 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 56.96 82.84 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 163.77 34.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -131.88 109.66 10.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.34 108.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.47 155.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.02 -178.67 49.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.41 4.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -65.92 160.29 23.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.7 m 48.38 81.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.44 1.087 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 p -46.6 156.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 109.951 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.15 166.53 10.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.8 -167.62 23.45 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.09 116.23 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 p -136.9 133.51 35.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 87.22 112.16 0.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . 36.8 mt -39.88 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -42.2 -42.28 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -39.69 86.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.583 ' NE2' HD13 ' A' ' 70' ' ' LEU . 33.6 mt-30 -53.36 -57.54 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 70' ' ' LEU . 60.2 t -64.31 -54.91 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -28.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.31 -39.55 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 30.0 tp -48.39 -71.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -45.03 -35.13 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.676 ' HA ' HG23 ' A' ' 32' ' ' VAL . 8.5 m-20 -68.89 -61.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -56.05 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -41.61 -44.53 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.6 t80 -44.18 -53.88 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -38.57 -32.57 0.16 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.43 -53.2 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -30.61 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 20' ' ' TYR . 63.2 mt -97.4 -25.47 15.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 96.47 -12.05 66.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.69 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.8 mt -47.52 165.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmtp -107.52 -32.68 7.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.3 p90 -86.53 164.05 39.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.31 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -103.39 161.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -105.85 125.25 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.676 HG23 ' HA ' ' A' ' 17' ' ' ASN . 74.5 t -65.34 138.1 96.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.517 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.03 70.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 30.6 m-85 -53.99 -45.05 71.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -64.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -53.43 -36.04 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.433 HD11 ' HB ' ' A' ' 44' ' ' VAL . 17.9 mt -68.52 -27.35 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -58.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -41.34 86.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -120.18 113.4 34.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -16.5 20.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.39 45.28 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.69 -80.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 ' HE1' ' A' ' 20' ' ' TYR . 19.9 t -113.73 124.97 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt -91.61 133.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.905 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 25.0 mt -117.05 127.26 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.24 164.56 29.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.59 -10.44 74.08 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.05 164.53 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.991 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 169.05 23.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.88 7.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.62 -5.76 57.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.991 HD12 ' HG2' ' A' ' 50' ' ' PRO . 22.8 mt -119.87 101.54 47.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.75 8.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.599 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.86 87.58 7.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.72 179.87 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -64.65 147.08 98.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.04 -13.19 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.67 -36.2 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -78.64 -1.76 35.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.4 m-30 -109.65 154.54 22.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -100.54 162.66 18.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.423 ' HA ' HD12 ' A' ' 66' ' ' LEU . 35.8 p -39.19 -43.38 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -56.95 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -58.66 -37.85 76.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' ARG . 54.6 mt -64.42 -63.5 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.38 -33.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.846 ' HD3' HD11 ' A' ' 53' ' ' ILE . 13.0 mtp85 -73.74 -53.82 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.636 HG23 HD11 ' A' ' 76' ' ' ILE . 4.4 mt -48.64 -59.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' NE2' ' A' ' 11' ' ' GLN . 56.4 mt -50.17 -23.62 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -72.19 -56.94 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.19 21.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.718 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.88 -26.3 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -41.42 44.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -61.33 -50.31 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 73' ' ' ALA . 31.8 mt -40.96 123.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -131.8 123.22 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.905 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -95.25 151.93 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.9 m -125.52 132.9 52.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.651 HG11 ' CD2' ' A' ' 24' ' ' LEU . 69.3 t -118.33 102.41 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.9 p -45.75 -47.0 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.3 mtt85 -45.75 156.72 0.42 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.25 6.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 55.2 96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -134.05 178.43 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.26 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -54.16 162.95 3.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 87' ' ' LEU . 1.3 mm? -114.79 129.68 56.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.766 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 89' ' ' PRO . 18.5 mm 62.39 141.49 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.1 Cg_endo -75.02 147.37 33.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.821 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? 44.81 91.15 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.91 2.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -155.21 136.25 13.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.46 125.33 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -108.69 164.66 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.58 111.3 3.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.47 4.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 t -160.22 169.54 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.41 162.37 22.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.075 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.67 106.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -59.05 159.26 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.45 -105.06 0.95 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m 61.72 128.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 110.016 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -109.51 88.95 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.99 110.31 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.0 mt -40.76 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.71 -44.66 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -42.69 95.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.9 mt-30 -55.86 -60.85 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.646 HG22 ' HG ' ' A' ' 70' ' ' LEU . 20.4 t -56.57 -50.87 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.66 -29.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.15 -43.73 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 ' HB1' ' A' ' 73' ' ' ALA . 47.8 tp -46.4 -71.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -40.37 -43.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.623 ' HA ' HG23 ' A' ' 32' ' ' VAL . 4.0 m-20 -63.75 -61.97 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -48.9 -52.35 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -46.08 -47.15 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.725 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.6 t80 -42.51 -56.14 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.9 -42.72 1.58 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.9 mt-10 -68.54 -54.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.734 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.64 -26.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.577 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.2 mt -100.61 -27.98 13.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.34 -16.56 52.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.683 HG21 ' CE1' ' A' ' 28' ' ' TYR . 6.9 mt -45.43 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 mttt -105.28 -31.8 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.683 ' CE1' HG21 ' A' ' 26' ' ' ILE . 12.1 p90 -89.62 164.18 30.26 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 125.63 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG21 HD13 ' A' ' 26' ' ' ILE . 7.4 t -115.66 158.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -89.27 155.4 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 20' ' ' TYR . 67.1 t -100.15 138.21 20.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.526 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.02 74.09 4.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.57 -50.81 67.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.7 mttt -51.19 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -52.4 -31.95 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.434 HD12 HG12 ' A' ' 32' ' ' VAL . 13.9 mt -73.62 -21.58 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -86.87 -57.53 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.46 97.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.15 113.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.1 48.02 3.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -104.25 -72.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.551 HG21 ' HE1' ' A' ' 20' ' ' TYR . 19.4 t -124.01 125.28 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.43 134.65 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.906 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 21.9 mt -118.22 128.59 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' LYS . 8.5 mm-40 -141.15 164.38 30.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.85 -10.21 74.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.54 164.53 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.03 168.98 23.62 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.439 1.757 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.83 7.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.76 -6.13 56.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.9 mt -119.9 99.28 49.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.55 18.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.59 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -76.71 83.73 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.36 178.9 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.36 140.06 25.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.496 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 24.9 p -55.32 -22.19 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -9.48 58.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 15.9 m-85 -106.5 154.74 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.41 159.87 53.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' HD12 ' A' ' 66' ' ' LEU . 57.7 p -46.18 -53.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.39 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 38.7 m-80 -56.26 -38.78 71.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 12' ' ' VAL . 72.3 mt -63.98 -63.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mt-10 -37.3 -32.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.843 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 46.6 mtp85 -73.46 -55.65 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 76' ' ' ILE . 11.4 mt -45.44 -65.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.646 ' HG ' HG22 ' A' ' 12' ' ' VAL . 51.7 mt -47.61 -28.38 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.843 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -66.91 -55.24 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -91.28 20.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.45 -27.62 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.7 mmtt -63.3 -48.29 78.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 73' ' ' ALA . 42.9 mt -43.71 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' GLU . 27.5 tttm -134.58 121.17 20.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -93.6 151.27 19.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 52.3 m -125.0 131.04 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 24' ' ' LEU . 68.1 t -116.81 119.86 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.6 p -76.62 -48.34 19.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.63 156.93 0.4 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 173.56 14.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.21 132.11 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.85 136.59 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.0 75.33 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.65 168.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.686 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.6 mp -125.55 141.99 40.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.97 -173.49 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' CB ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER 178.35 -58.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.01 100.5 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -138.57 150.61 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.34 101.73 7.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.251 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 62.6 m -50.36 133.38 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 153.63 -141.37 8.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 82.0 2.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.34 122.45 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 112.21 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.93 97.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.71 161.62 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.82 -111.84 1.73 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.28 110.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.39 -57.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.66 144.37 15.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 8' ' ' LEU . 26.0 mt -41.45 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 8.5 ttp-105 -39.15 -54.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -51.08 58.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.9 -57.26 8.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 66' ' ' LEU . 46.6 t -60.59 -56.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -39.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.34 -41.64 32.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 HD23 ' A' ' 70' ' ' LEU . 47.5 tp -48.6 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -40.06 -44.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.529 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.8 m-80 -63.79 -58.46 6.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -53.75 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -43.62 -52.42 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.699 ' HE1' HG21 ' A' ' 44' ' ' VAL . 5.7 t80 -39.43 -58.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -37.72 -36.69 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.4 -53.13 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.25 -33.97 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 20' ' ' TYR . 51.5 mt -93.49 -27.55 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.1 -14.24 55.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.9 mt -47.89 165.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -108.35 -32.05 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 16.5 p90 -86.66 164.07 38.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.47 4.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -106.51 158.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -83.3 158.67 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' ' 20' ' ' TYR . 73.7 t -114.32 130.38 24.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.29 3.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' LYS . 4.4 m-30 -55.65 -59.62 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -66.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -50.9 -37.77 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 mt -68.03 -26.91 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -78.83 -48.33 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.71 -45.02 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -120.19 113.48 33.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.56 5.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.3 28.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -46.87 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.699 HG21 ' HE1' ' A' ' 20' ' ' TYR . 15.8 t -125.84 123.48 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 2.3 mt -92.47 130.63 41.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.876 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 28.3 mt -115.79 126.49 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.48 165.65 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.84 -10.38 74.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.97 164.36 0.29 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.974 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 169.29 22.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.94 7.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -5.89 57.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.974 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.93 101.4 47.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.96 90.41 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -151.65 -178.62 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 60' ' ' THR . 17.1 ptpt -66.49 155.75 87.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -0.11 9.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.9 -17.36 38.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 57' ' ' LYS . 3.2 p -88.98 -8.73 53.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE1' ' OG1' ' A' ' 60' ' ' THR . 6.2 m-85 -116.06 160.13 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.05 171.94 21.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -42.09 -58.09 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.73 -60.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 25.5 m-20 -51.93 -57.92 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 12' ' ' VAL . 60.1 mt -44.36 -60.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.51 -34.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.799 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 56.0 mtt180 -75.59 -55.93 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HG21 ' A' ' 53' ' ' ILE . 7.9 mt -42.75 -67.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.611 ' HG ' HG22 ' A' ' 12' ' ' VAL . 49.6 mt -46.57 -28.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -70.37 -53.69 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.2 m -90.32 19.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.579 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.5 -27.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -43.19 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.8 mmtt -59.12 -51.35 70.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 73' ' ' ALA . 27.0 mt -42.96 118.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -129.1 122.32 29.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.876 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -93.77 151.49 19.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 41.3 m -130.14 122.19 27.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.493 HG11 ' CD2' ' A' ' 24' ' ' LEU . 14.5 t -107.82 144.3 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.0 p -112.36 -61.79 1.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 110.361 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 59.74 157.64 0.1 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' PHE . 18.4 Cg_endo -75.01 55.86 4.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' PRO . 6.7 m-85 37.91 86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -170.55 153.47 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.01 -95.29 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 62.58 117.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.1 mp -112.0 140.3 23.3 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.04 140.32 25.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -73.54 -51.58 5.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.25 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.02 80.73 2.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -95.36 127.85 41.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 64.6 98.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.9 m -115.87 85.22 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.99 -85.99 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 106.84 2.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.14 -61.39 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.7 p -163.36 167.03 22.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.052 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -142.88 166.79 23.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.5 p 177.59 156.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.66 164.09 18.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -154.01 -56.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.32 159.21 15.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.3 102.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.6 mt -48.79 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -52.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.5 -49.69 69.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.09 -56.12 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 70' ' ' LEU . 62.0 t -64.61 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -44.76 -25.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -93.65 -36.12 12.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' VAL . 42.0 tp -51.96 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -46.27 -35.27 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.594 ' HA ' HG23 ' A' ' 32' ' ' VAL . 60.2 m-20 -68.3 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -53.46 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -41.64 -48.73 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.649 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.8 t80 -37.82 -59.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.49 -38.24 0.62 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.12 -53.43 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.47 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 20' ' ' TYR . 53.2 mt -102.57 -25.2 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 97.78 -13.31 63.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.7 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.8 mt -47.98 165.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.89 -34.26 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.7 ' CE1' HG21 ' A' ' 26' ' ' ILE . 16.9 p90 -83.78 163.86 47.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.11 11.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 26' ' ' ILE . 8.3 t -121.94 157.84 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -103.27 130.99 50.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 20' ' ' TYR . 73.9 t -69.81 139.42 88.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 73.82 4.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -55.17 -42.15 72.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -66.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -54.38 -32.77 57.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 HG12 ' A' ' 32' ' ' VAL . 11.2 mt -70.98 -28.43 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.96 25.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -41.16 74.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -120.16 113.56 33.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.12 17.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.74 43.66 2.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.76 -76.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.479 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 17.0 t -118.9 126.53 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mt -92.75 133.35 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.921 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 21.5 mt -117.0 128.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.9 mm-40 -140.13 164.34 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.62 -10.73 73.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.04 164.43 0.3 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.029 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.63 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.55 -7.57 57.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.143 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.029 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.4 mt -119.99 99.9 48.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.32 8.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -79.86 90.7 5.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -151.84 178.58 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.87 151.94 84.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.4 Cg_endo -74.98 -15.43 20.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.7 p -65.92 -33.15 75.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.6 p -79.16 -2.29 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.2 m-30 -111.68 153.99 25.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.73 164.29 20.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.499 ' HA ' HD12 ' A' ' 66' ' ' LEU . 15.0 p -40.85 -47.77 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -53.91 -59.25 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.29 -45.68 62.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 63' ' ' SER . 46.2 mt -55.94 -60.99 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.49 -32.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.805 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 87.1 mtt180 -77.26 -54.93 5.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.661 HD11 HG21 ' A' ' 53' ' ' ILE . 5.4 mt -44.67 -63.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.548 ' CD2' HG22 ' A' ' 12' ' ' VAL . 43.9 mt -50.83 -25.67 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -70.42 -53.14 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.4 m -93.21 19.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.0 -28.4 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -38.75 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.4 mmtt -64.66 -50.24 67.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 73' ' ' ALA . 42.4 mt -40.61 126.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.6 tttp -136.63 118.97 15.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.921 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.9 m-85 -90.24 151.91 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -129.87 118.86 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.603 ' O ' HG23 ' A' ' 81' ' ' THR . 5.6 t -98.34 160.31 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 80' ' ' VAL . 4.3 p -157.48 115.69 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 178.15 156.32 0.54 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.2 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -136.5 169.26 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -105.12 -40.17 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.731 ' O ' HD22 ' A' ' 87' ' ' LEU . . . 55.15 -168.12 2.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 86' ' ' GLY . 1.4 mm? -135.2 -168.56 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.59 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.6 mp -79.89 140.7 54.41 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.03 173.17 14.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 86.43 2.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 141.23 26.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -120.29 173.3 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.13 135.86 52.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.7 160.45 43.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.04 96.97 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.1 3.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -136.05 170.84 15.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.5 p 59.05 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -55.49 -58.61 7.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.07 150.84 40.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.0 159.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.94 102.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m 63.57 162.02 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . 57.59 100.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 35.9 mt -43.01 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -46.93 -34.37 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.51 -33.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.2 mt-30 -65.14 -62.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.715 HG22 ' HG ' ' A' ' 70' ' ' LEU . 12.5 t -55.41 -45.6 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -29.03 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.77 -38.93 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 46.0 tp -53.94 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CD2' ' HG3' ' A' ' 58' ' ' PRO . 5.8 m-30 -44.95 -32.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -71.46 -54.93 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -53.82 53.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -42.0 -51.97 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.777 ' HE1' HG21 ' A' ' 44' ' ' VAL . 6.9 t80 -44.09 -56.61 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.4 -36.39 0.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -71.53 -55.32 8.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -47.33 -25.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 20' ' ' TYR . 58.8 mt -100.88 -29.08 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.02 -18.91 45.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.706 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.3 mt -44.62 165.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -107.63 -34.03 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.706 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.9 p90 -84.51 163.37 47.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.17 3.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.6 t -97.27 162.66 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 158.18 17.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.519 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.3 t -109.51 122.61 38.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 82.15 2.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.19 -47.55 85.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -50.2 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -53.62 -29.61 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.21 -21.57 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -56.12 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.0 m -58.51 -40.38 82.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.12 113.48 34.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -18.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.8 38.76 3.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.72 -76.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.777 HG21 ' HE1' ' A' ' 20' ' ' TYR . 10.5 t -121.81 120.98 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.817 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -89.52 126.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.886 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 20.4 mt -112.36 121.53 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 77' ' ' LYS . 19.6 mm-40 -136.05 164.33 28.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.98 -10.38 73.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -49.58 164.29 0.34 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.025 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.94 169.21 23.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.75 8.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -7.23 57.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.025 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.5 mt -119.81 100.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.97 178.43 7.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.43 91.25 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -150.9 -179.13 7.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -51.0 139.35 23.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HG3' ' CD2' ' A' ' 16' ' ' PHE . 18.3 Cg_endo -74.97 -57.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.764 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 9' ' ' ARG . 30.3 p -54.82 -22.1 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.98 -7.86 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 19.2 m-85 -108.45 165.68 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.31 159.31 40.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.56 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.8 p -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -51.6 35.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 7.2 m-20 -58.47 -38.65 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 63' ' ' SER . 66.2 mt -62.64 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.69 -32.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.968 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -73.47 -50.09 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.607 HG23 HD11 ' A' ' 76' ' ' ILE . 18.3 mt -51.37 -68.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.715 ' HG ' HG22 ' A' ' 12' ' ' VAL . 52.9 mt -44.39 -26.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.55 -57.09 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.449 HG21 ' CD ' ' A' ' 50' ' ' PRO . 31.4 m -91.63 20.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.707 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.53 -28.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -44.61 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.5 mmtt -59.83 -51.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 73' ' ' ALA . 29.3 mt -40.7 121.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 59.2 tttt -131.08 129.98 42.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.886 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -102.16 150.56 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 3.3 m -124.9 140.96 52.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' HB1' ' A' ' 23' ' ' ALA . 67.7 t -125.43 101.34 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.0 p -43.21 -65.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.03 163.05 0.13 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.45 27.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.547 1.814 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -142.08 172.95 11.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -113.71 163.13 15.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.81 117.59 1.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.18 175.45 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.3 mp -77.17 141.91 67.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.02 178.86 6.71 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -139.6 91.43 10.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.24 37.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -154.44 176.03 12.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -115.16 160.04 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.87 166.68 24.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.056 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.47 171.88 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.128 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.769 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.72 105.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -101.35 -58.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -121.74 138.22 54.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -174.44 125.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.01 74.78 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.464 1.103 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -154.88 121.64 5.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -134.2 -49.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.43 149.15 24.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' GLN . 57.9 mt -45.09 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.78 -36.84 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.55 -40.98 80.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . 7.2 mt-30 -56.23 -62.18 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.625 HG22 ' HG ' ' A' ' 70' ' ' LEU . 29.8 t -53.76 -54.37 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -26.92 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -91.43 -43.98 9.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD22 HD23 ' A' ' 70' ' ' LEU . 54.2 tp -45.12 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.4 m-85 -50.3 -46.56 55.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.94 -40.64 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -72.53 -60.88 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -43.34 -42.2 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.644 ' CG ' HG22 ' A' ' 32' ' ' VAL . 13.8 t80 -47.93 -59.19 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.9 -41.31 13.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -62.41 -48.88 77.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -62.05 -15.47 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.743 HD23 HG11 ' A' ' 80' ' ' VAL . 46.2 mt -106.25 -12.9 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 91.95 -29.18 7.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.5 mt -44.91 165.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.2 mtmt -111.01 -35.06 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.689 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.6 p90 -81.13 163.46 55.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.1 t -97.64 159.67 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.09 135.0 34.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.644 HG22 ' CG ' ' A' ' 20' ' ' TYR . 55.0 t -95.2 117.37 66.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 77.55 3.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 56.5 m-85 -58.7 -43.67 90.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -56.27 -34.35 66.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 17.0 mt -70.86 -27.97 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -74.01 -53.68 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -66.91 -40.34 87.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -120.21 113.53 33.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.5 10.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -40.25 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.638 HG21 ' HE1' ' A' ' 20' ' ' TYR . 10.3 t -132.74 120.06 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mt -94.39 128.36 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.888 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 27.6 mt -110.77 123.79 66.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.6 mm-40 -136.19 162.77 32.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.7 68.42 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.27 164.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 168.59 24.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.26 7.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.65 57.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.985 HD11 ' HD3' ' A' ' 68' ' ' ARG . 16.2 mt -120.07 100.62 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -81.55 87.27 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -142.7 179.66 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 146.96 92.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -74.97 -8.16 19.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.67 -35.59 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -76.57 -4.85 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.0 m-30 -103.29 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -109.08 159.71 13.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.6 p -39.34 -46.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 110.048 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -58.59 7.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -54.9 -38.76 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.337 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 12' ' ' VAL . 78.9 mt -62.17 -64.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.73 -31.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.985 ' HD3' HD11 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -75.05 -49.85 18.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.643 HG23 HD11 ' A' ' 76' ' ' ILE . 8.3 mt -49.92 -64.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.625 ' HG ' HG22 ' A' ' 12' ' ' VAL . 45.7 mt -48.99 -26.49 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.883 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -63.92 -56.07 17.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' CD ' ' A' ' 50' ' ' PRO . 27.3 m -91.17 20.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -45.42 -27.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -47.92 36.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ILE . 9.3 mmtt -56.18 -51.31 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.643 HD11 HG23 ' A' ' 69' ' ' ILE . 41.8 mt -39.87 127.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.5 tttt -138.83 123.42 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.888 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -92.84 151.31 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.8 m -122.22 130.04 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.743 HG11 HD23 ' A' ' 24' ' ' LEU . 69.6 t -120.87 126.51 75.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.5 p -74.36 -60.59 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -41.07 161.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 138.82 23.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.4 p90 -120.51 165.41 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -107.21 154.22 21.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.49 -150.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.86 127.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.5 mp -133.29 141.87 42.19 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.97 167.59 26.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -92.61 114.95 63.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.14 25.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -177.38 114.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 95' ' ' GLY . 20.7 tt0 -140.23 -58.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.5 t 69.17 -68.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' GLU . . . 96.6 142.08 12.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.15 41.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.66 -84.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.3 85.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.18 -58.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.32 132.75 7.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.05 -174.74 16.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -178.5 144.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.99 174.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.24 141.77 5.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.9 mt -42.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.63 -39.27 1.03 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -44.93 77.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 21.0 mt-30 -52.56 -60.37 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.701 HG22 ' HG ' ' A' ' 70' ' ' LEU . 7.7 t -57.94 -45.53 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -48.95 -29.84 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.57 -38.72 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD22 HD23 ' A' ' 70' ' ' LEU . 57.9 tp -51.36 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 109.313 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -43.7 -36.56 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.587 ' HA ' HG23 ' A' ' 32' ' ' VAL . 38.0 m-20 -69.08 -55.22 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.17 -54.49 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 18.0 mmtt -40.27 -43.81 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.746 ' HE1' HG21 ' A' ' 44' ' ' VAL . 5.2 t80 -50.79 -57.33 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.22 -36.22 0.54 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.8 mt-10 -70.56 -56.44 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.726 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -44.83 -36.56 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 20' ' ' TYR . 49.1 mt -89.98 -28.6 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 99.92 -11.45 60.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.684 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.4 mt -44.91 165.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmpt? -107.03 -32.67 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.684 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.8 p90 -86.71 164.14 38.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 26' ' ' ILE . 11.4 t -107.5 160.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.62 148.15 24.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.687 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.6 t -89.01 136.73 30.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.98 73.28 4.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -54.88 -35.29 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -62.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -56.95 -27.19 60.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.44 HD12 ' CG1' ' A' ' 32' ' ' VAL . 17.2 mt -77.7 -21.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.94 -55.88 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -61.0 -41.93 97.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.962 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -120.14 113.44 34.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.01 12.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.3 46.88 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.0 m -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.746 HG21 ' HE1' ' A' ' 20' ' ' TYR . 11.7 t -118.09 120.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.82 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -88.31 128.19 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.914 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.7 mt -114.36 118.89 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -134.28 164.11 28.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.72 70.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -48.49 164.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.976 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.53 -6.29 57.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.976 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -119.8 99.59 49.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.57 0.806 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.75 17.71 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.511 1.796 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.591 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.06 85.53 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -144.96 179.6 7.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.38 141.71 15.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.444 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.97 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.57 -26.13 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -68.56 -13.33 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.2 m-85 -105.09 144.37 31.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 161.8 34.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' HD12 ' A' ' 66' ' ' LEU . 50.6 p -47.83 -50.08 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -51.91 43.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 31.9 m-80 -59.08 -37.87 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 12' ' ' VAL . 83.9 mt -63.87 -63.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -36.95 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.848 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 52.8 mtp85 -73.67 -54.32 8.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.588 HG23 HD11 ' A' ' 76' ' ' ILE . 16.2 mt -45.69 -66.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.701 ' HG ' HG22 ' A' ' 12' ' ' VAL . 60.1 mt -46.75 -29.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.83 -54.85 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.3 m -91.54 20.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.685 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.76 -27.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.51 -43.08 60.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.9 mmtt -60.09 -51.7 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 73' ' ' ALA . 24.3 mt -41.08 122.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 31.1 tttt -131.71 123.86 28.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.914 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -96.9 149.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 3.2 m -123.97 144.64 49.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.542 HG23 ' HB1' ' A' ' 23' ' ' ALA . 73.9 t -128.56 100.75 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.9 p -41.12 -65.96 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.23 163.64 0.69 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 46.27 78.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 61.27 173.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -136.56 136.68 8.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.4 HD13 ' HA3' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -129.6 150.01 51.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.618 HG23 ' HD2' ' A' ' 89' ' ' PRO . 5.2 mp -77.77 141.32 64.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.01 -177.96 3.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm 65.21 78.1 0.27 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.06 4.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.28 156.63 25.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.11 155.22 40.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -174.15 157.2 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.77 95.39 0.1 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.92 9.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.77 122.76 43.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.24 129.63 29.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.54 104.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.71 132.6 25.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.69 142.33 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -175.14 140.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 109.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.42 152.26 27.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.89 120.85 4.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 28.0 mt -40.4 -70.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -40.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -44.2 84.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 12.2 mt-30 -53.54 -60.06 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.8 t -57.48 -51.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -29.67 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -89.47 -33.97 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 73' ' ' ALA . 52.3 tp -55.22 -71.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -48.86 -31.98 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 7.8 m-20 -70.05 -59.92 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.59 -55.28 31.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 26.9 mmtt -40.24 -43.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.7 t80 -47.68 -57.87 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -39.02 -36.03 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . 66.1 mt-10 -75.47 -55.49 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -31.64 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.948 ' CD2' HG11 ' A' ' 80' ' ' VAL . 28.4 mt -94.64 -29.08 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 102.44 -13.91 56.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.8 mt -45.99 165.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.64 -33.48 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.7 p90 -85.39 164.46 40.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 26' ' ' ILE . 11.0 t -108.0 161.25 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -107.65 133.55 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG22 ' CD1' ' A' ' 20' ' ' TYR . 72.0 t -73.43 136.0 78.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 72.49 4.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -53.79 -54.43 38.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -45.43 -66.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -53.32 -31.28 43.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.454 HD12 HG12 ' A' ' 32' ' ' VAL . 11.1 mt -72.38 -23.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -79.37 -47.63 15.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 m -66.9 -43.65 82.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -120.17 113.33 34.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.54 14.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.417 1.746 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.51 43.29 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.68 -72.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.4 t -121.0 120.41 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -88.2 134.09 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.841 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -120.12 128.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -141.75 161.94 36.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.03 -10.73 69.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -47.64 164.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 168.84 23.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.92 6.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.88 -4.88 56.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 18.1 mt -119.86 102.04 47.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.87 12.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CE1' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -79.35 83.88 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -144.12 -179.78 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -68.22 149.88 97.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.608 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.08 -11.44 21.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.89 -43.81 97.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 p -75.93 -2.24 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.608 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.2 m-30 -103.43 154.32 19.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.11 164.8 18.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 p -45.62 -39.09 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -53.99 47.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.57 -39.26 87.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.596 HD22 HG21 ' A' ' 12' ' ' VAL . 70.9 mt -62.24 -63.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -36.9 -34.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.6 mtp85 -74.09 -54.71 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.678 HD11 HG21 ' A' ' 53' ' ' ILE . 4.0 mt -44.75 -66.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 12' ' ' VAL . 50.5 mt -46.6 -28.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.61 -53.75 25.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 75' ' ' LYS . 19.5 m -91.81 20.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.45 -27.13 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -40.62 60.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 mmtt -62.32 -50.01 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 73' ' ' ALA . 41.5 mt -43.01 129.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.4 tttm -138.56 117.86 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -90.9 151.52 21.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.6 m -124.36 127.16 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 24' ' ' LEU . 70.1 t -119.97 132.93 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.8 p -98.69 -53.89 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 61.09 159.13 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.772 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.08 115.05 22.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.88 -57.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -115.02 -170.69 16.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.633 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.01 167.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 89' ' ' PRO . 14.2 mm -53.58 140.82 46.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.04 156.96 42.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 4.4 tttt -49.54 129.47 18.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -74.96 94.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.0 117.63 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.93 131.46 35.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.3 t -119.11 92.56 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -140.22 -157.46 7.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.02 41.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 t -164.54 123.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 p -138.45 105.68 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -103.73 140.0 38.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 p -174.13 148.5 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.55 -173.01 19.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.15 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.95 113.52 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 p 176.41 132.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.97 111.16 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.565 1.166 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 mt -40.71 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.1 ttm105 -39.04 -46.54 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.43 -44.86 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -52.04 -58.85 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.661 HG22 ' HG ' ' A' ' 70' ' ' LEU . 12.3 t -60.15 -44.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -24.71 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -93.88 -41.49 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 70' ' ' LEU . 57.4 tp -47.06 -71.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' HE1' HD13 ' A' ' 76' ' ' ILE . 9.6 m-30 -45.79 -48.35 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -56.58 -37.72 70.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.75 -62.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -43.59 -41.26 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.809 ' CG ' HG22 ' A' ' 32' ' ' VAL . 33.1 t80 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -37.37 -40.51 0.64 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 47.9 mt-10 -65.32 -52.94 50.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.7 -26.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.91 ' CD2' HG11 ' A' ' 80' ' ' VAL . 59.2 mt -99.56 -30.52 12.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 108.64 -21.26 28.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.7 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.1 mt -45.13 165.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -109.7 -36.34 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.7 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.8 p90 -80.25 163.76 55.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.14 3.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.612 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.6 t -98.68 158.54 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.2 109.72 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.809 HG22 ' CG ' ' A' ' 20' ' ' TYR . 76.3 t -55.67 140.56 66.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 70.1 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -54.8 -55.77 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -29.95 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.452 HD12 HG12 ' A' ' 32' ' ' VAL . 16.8 mt -72.49 -22.4 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -85.05 -53.2 5.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -63.64 -43.93 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -120.14 113.49 34.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.09 20.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.62 50.29 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -110.03 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.5 t -120.89 120.06 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.09 133.85 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.944 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 19.6 mt -116.73 127.1 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.84 166.17 24.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.77 -10.81 73.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.44 HD23 ' CG1' ' A' ' 76' ' ' ILE . 11.7 mt -49.13 164.1 0.32 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.961 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 168.96 23.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.41 -6.28 57.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.961 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.2 mt -119.52 99.41 49.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 170.48 20.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.53 86.61 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.5 mmt-85 -145.86 -179.9 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -51.09 141.0 20.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.456 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.05 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.768 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.408 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 7.6 p -53.54 -25.75 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -6.89 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.5 m-85 -113.19 153.05 28.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.84 164.22 53.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' HD12 ' A' ' 66' ' ' LEU . 16.9 p -49.74 -46.02 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -53.17 -55.09 26.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.6 m-80 -56.06 -37.67 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 12' ' ' VAL . 80.3 mt -64.87 -63.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.43 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 90.7 mtt180 -74.27 -52.7 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' A' ' 76' ' ' ILE . 17.1 mt -48.36 -63.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.661 ' HG ' HG22 ' A' ' 12' ' ' VAL . 55.9 mt -49.66 -24.68 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -69.74 -56.15 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' LYS . 27.8 m -90.17 18.04 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -45.57 -27.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -71.18 -45.76 62.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.3 mptt -61.86 -50.86 70.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.755 ' CD1' HG23 ' A' ' 69' ' ' ILE . 55.1 mt -39.78 116.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -129.1 128.22 43.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.944 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -97.96 150.53 21.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.5 m -122.48 134.14 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.91 HG11 ' CD2' ' A' ' 24' ' ' LEU . 78.3 t -124.83 100.71 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.4 p -39.23 -51.02 1.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -49.99 160.08 0.7 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.21 15.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -138.18 148.71 45.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -76.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.2 177.5 17.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' HA ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -116.83 103.53 10.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.557 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.1 mp -70.73 140.6 86.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.96 -177.25 3.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.787 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' CB ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER 178.74 -58.21 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -75.02 55.27 3.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 t0 63.81 135.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.93 127.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.4 p -141.77 100.36 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.14 -147.98 23.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.68 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.53 77.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.949 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -145.03 97.89 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -90.4 167.68 12.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -113.91 -59.66 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.23 141.07 3.63 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -123.41 98.31 5.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 110.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.71 166.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.036 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.15 88.12 0.68 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 8' ' ' LEU . 22.4 mt -42.37 -71.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.45 -47.54 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.4 mt-30 -54.27 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.666 HG22 ' HG ' ' A' ' 70' ' ' LEU . 39.9 t -56.1 -55.62 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.46 -38.69 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -79.62 -36.19 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD22 HD23 ' A' ' 70' ' ' LEU . 45.4 tp -54.48 -71.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -41.96 -35.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.71 ' HA ' HG23 ' A' ' 32' ' ' VAL . 86.8 m-20 -72.45 -59.92 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 -58.42 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -41.51 -49.31 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.711 ' CD1' HG22 ' A' ' 32' ' ' VAL . 3.2 t80 -39.31 -54.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.33 -33.34 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.84 -54.02 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 0.741 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.948 ' CD2' HG11 ' A' ' 80' ' ' VAL . 52.4 mt -78.75 -24.55 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.13 69.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.714 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -43.92 165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 tttp -105.42 -35.17 7.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.714 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.1 p90 -84.37 163.9 45.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 114.66 4.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -101.99 160.19 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -106.6 131.12 54.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 20' ' ' TYR . 77.6 t -71.25 134.31 85.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.96 72.48 4.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -54.87 -48.15 73.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.38 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.89 -30.17 61.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.418 HD12 HG12 ' A' ' 32' ' ' VAL . 21.5 mt -73.24 -27.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -46.79 21.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -42.69 73.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.11 113.39 34.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.75 7.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.74 48.5 4.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 p -108.37 -71.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.6 t -118.82 126.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.48 130.81 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.925 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 22.7 mt -114.34 129.83 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.45 165.15 28.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.65 -10.39 74.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.4 mt -49.1 163.72 0.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.951 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.06 169.93 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.7 56.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.951 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -119.8 99.35 49.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 175.47 11.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.52 85.6 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.93 178.66 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -65.86 150.4 96.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -15.69 20.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 60' ' ' THR . 18.0 p -66.43 -39.72 89.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.463 HG23 ' SG ' ' A' ' 59' ' ' CYS . 59.5 p -72.64 -8.17 53.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 69' ' ' ILE . 18.4 m-30 -102.82 162.77 12.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.29 166.4 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 p -42.95 -47.36 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -63.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -49.73 -55.32 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 HG21 ' A' ' 12' ' ' VAL . 57.7 mt -45.9 -62.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -36.7 -34.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.799 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 26.3 mtt85 -77.33 -52.8 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 61' ' ' PHE . 19.5 mt -44.18 -62.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.738 HD23 HD22 ' A' ' 15' ' ' LEU . 41.1 mt -52.61 -26.73 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.59 -54.74 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG21 ' CD ' ' A' ' 50' ' ' PRO . 29.8 m -88.06 15.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -43.79 -27.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -72.29 -49.28 35.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 mptt -60.77 -53.43 57.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 73' ' ' ALA . 19.2 mt -38.6 109.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -123.6 129.95 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.925 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.8 m-85 -98.92 151.17 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 32.6 m -121.84 126.62 49.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 24' ' ' LEU . 74.5 t -115.22 112.11 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.6 p -66.74 -53.63 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -44.37 156.5 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 146.36 32.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -145.16 179.48 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -137.58 142.8 41.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.06 124.51 1.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.3 134.5 51.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.687 HG23 ' HD2' ' A' ' 89' ' ' PRO . 17.2 mm 66.93 141.89 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.02 170.5 20.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -142.87 69.11 18.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.54 15.56 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.86 162.47 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -135.52 -61.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.4 t -177.55 144.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.03 -151.86 13.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.1 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.6 p -166.84 166.93 15.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.2 m 62.35 108.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -112.48 148.61 34.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -135.52 139.37 43.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.89 95.02 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.19 -55.94 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.13 151.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.35 105.7 3.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' GLN . 45.5 mt -40.25 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.756 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -42.66 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -43.79 87.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -55.06 -51.32 66.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.515 HG22 ' CD2' ' A' ' 70' ' ' LEU . 58.3 t -67.08 -53.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -45.63 -25.06 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -94.68 -37.26 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.585 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 35.3 tp -50.71 -71.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -47.41 -37.79 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.759 ' HA ' HG23 ' A' ' 32' ' ' VAL . 59.3 m-20 -64.42 -58.04 7.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -55.82 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -41.63 -46.38 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.0 t80 -39.02 -55.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.71 -42.73 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.9 mt-10 -71.39 -54.52 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.87 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.785 HD21 HG21 ' A' ' 80' ' ' VAL . 48.8 mt -100.64 -29.22 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 105.35 -13.4 47.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.728 HD13 HG21 ' A' ' 30' ' ' VAL . 7.4 mt -48.32 164.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.3 -31.33 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.677 ' CE1' HG21 ' A' ' 26' ' ' ILE . 13.5 p90 -88.31 163.91 34.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 117.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.728 HG21 HD13 ' A' ' 26' ' ' ILE . 12.1 t -107.97 160.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -102.67 135.36 44.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.759 HG23 ' HA ' ' A' ' 17' ' ' ASN . 55.5 t -75.8 140.14 70.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.05 73.0 4.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -55.0 -53.11 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -47.59 -64.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -54.56 -32.93 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD12 HG12 ' A' ' 32' ' ' VAL . 11.9 mt -71.39 -22.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -82.78 -45.38 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -70.34 -43.22 70.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.25 113.35 33.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.4 14.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.1 47.76 3.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.89 -70.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 78' ' ' PHE . 21.5 t -120.97 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 4.2 mt -90.53 133.64 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.887 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 26.4 mt -118.32 129.13 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.4 mm-40 -142.97 162.34 35.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.32 -10.39 71.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.42 164.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.035 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 169.37 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.778 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.83 8.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.24 -6.98 58.23 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.035 HD12 ' HG2' ' A' ' 50' ' ' PRO . 22.9 mt -119.87 100.9 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.85 8.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.44 89.52 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -149.09 179.52 7.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -62.78 149.9 88.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -75.01 -12.67 21.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 60' ' ' THR . 14.7 p -70.04 -40.2 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 59' ' ' CYS . 75.2 p -71.55 -5.04 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 14.1 m-30 -104.9 163.29 12.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 163.48 13.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 66' ' ' LEU . 24.6 p -40.31 -55.31 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -49.53 -57.06 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.32 -40.6 62.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 63' ' ' SER . 60.7 mt -62.04 -62.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.93 -32.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.841 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 38.0 mtp85 -74.61 -56.85 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 76' ' ' ILE . 8.2 mt -44.76 -65.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 12' ' ' VAL . 49.0 mt -45.44 -28.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.12 -55.62 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' LYS . 24.4 m -90.88 19.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.85 -26.09 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -39.67 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 13.1 mmtt -62.45 -51.17 68.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 73' ' ' ALA . 27.4 mt -40.86 125.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.3 ttmt -133.91 114.41 13.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.887 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -86.39 152.69 22.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -130.29 123.21 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.785 HG21 HD21 ' A' ' 24' ' ' LEU . 17.6 t -105.59 155.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 80' ' ' VAL . 5.0 p -158.97 114.95 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -159.53 163.35 23.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.12 8.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.6 t80 53.98 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -150.28 128.11 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.291 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.37 -152.9 24.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.77 132.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.706 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.4 mp -128.57 142.53 45.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.96 144.0 29.88 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.557 1.819 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -61.8 134.35 94.0 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -74.92 143.4 29.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 175.25 157.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.356 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.48 -60.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 p -47.46 137.24 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.7 149.28 5.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.48 9.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -62.69 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -116.58 124.42 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -68.74 -58.33 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.63 -57.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.96 178.67 17.98 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -150.4 172.08 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.979 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -114.01 148.41 37.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' GLU . . . 94.78 103.08 1.82 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.3 mt -40.91 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.734 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -46.27 -32.99 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' GLY . 3.5 mm-40 -77.08 -33.23 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mt-30 -61.79 -53.34 57.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG11 ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -66.17 -52.92 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -45.34 -26.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.1 -42.75 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.614 HD11 ' HB1' ' A' ' 73' ' ' ALA . 30.0 tp -43.11 -71.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -43.96 -49.67 8.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.894 ' HA ' HG23 ' A' ' 32' ' ' VAL . 71.6 m-20 -55.54 -54.05 48.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -40.88 -42.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.824 ' CD1' HG22 ' A' ' 32' ' ' VAL . 3.1 t80 -42.94 -47.67 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -46.32 -28.11 3.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 60.7 mt-10 -79.45 -58.04 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.99 -26.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 80' ' ' VAL . 37.6 mt -101.67 -28.01 12.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.79 -15.07 61.26 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -43.83 165.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.3 mmtp -107.97 -33.64 7.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.6 p90 -84.81 163.99 44.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.567 1.825 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 26' ' ' ILE . 10.9 t -102.62 159.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -105.2 124.4 49.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.894 HG23 ' HA ' ' A' ' 17' ' ' ASN . 74.7 t -66.11 135.14 95.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.97 74.47 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.6 m-85 -55.76 -56.54 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -44.81 -61.33 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -57.18 -34.05 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.404 HD12 HG12 ' A' ' 32' ' ' VAL . 10.7 mt -71.95 -22.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -82.87 -44.16 15.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -41.21 66.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -120.27 113.49 33.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.51 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.08 50.16 3.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.95 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.546 HG21 ' HE1' ' A' ' 20' ' ' TYR . 18.2 t -127.26 121.35 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.743 HD12 ' HB ' ' A' ' 79' ' ' THR . 1.1 mp -88.0 135.91 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.889 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 24.0 mt -118.51 121.02 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -134.33 166.04 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.69 -11.14 72.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.16 163.89 0.33 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.978 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 169.32 22.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.474 1.776 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.2 8.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.66 -6.0 58.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.978 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.91 101.13 48.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.477 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -75.01 179.38 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -88.19 87.67 7.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.82 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.1 mtmt -49.56 136.79 17.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.541 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.462 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.5 t -56.42 -21.64 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.52 -11.5 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -103.44 168.62 9.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.81 153.41 29.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.612 ' HA ' HD12 ' A' ' 66' ' ' LEU . 67.6 p -45.71 -47.28 15.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 110.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -49.1 61.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.25 -39.98 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 63' ' ' SER . 49.1 mt -60.89 -60.8 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.86 -32.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.808 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 62.5 mtp180 -75.1 -55.91 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.65 HG23 ' CD1' ' A' ' 76' ' ' ILE . 15.4 mt -45.55 -63.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 12' ' ' VAL . 46.6 mt -48.93 -23.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -75.95 -50.42 15.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' LYS . 18.5 m -95.12 19.99 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.721 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.32 -23.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -75.06 -40.62 60.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.3 mptt -63.09 -52.12 63.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 73' ' ' ALA . 23.3 mt -40.16 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -126.69 116.33 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.889 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -87.06 151.09 23.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.743 ' HB ' HD12 ' A' ' 45' ' ' ILE . 82.0 m -122.65 133.2 54.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 24' ' ' LEU . 78.4 t -123.36 100.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 81' ' ' THR . 79.4 p -42.05 -51.85 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -46.75 157.84 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.53 37.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.406 ' C ' ' CD1' ' A' ' 84' ' ' PHE . 7.4 p90 -167.12 161.87 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.02 170.41 10.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.54 157.38 23.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.41 154.23 35.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.3 mp -74.64 141.53 76.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.2 Cg_endo -74.97 -173.75 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -136.26 152.24 74.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.34 32.59 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 45.5 p-10 -120.1 164.04 16.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.15 159.48 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t 63.84 149.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.08 -76.37 0.19 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -174.69 2.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 t 71.25 -68.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.53 168.31 23.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 8' ' ' LEU . 19.6 mt -42.16 -72.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -38.8 -50.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -48.49 70.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.03 -52.42 58.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 70' ' ' LEU . 59.7 t -66.43 -56.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -41.82 -28.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' VAL . 6.1 t0 -91.81 -41.88 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.529 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 38.4 tp -45.56 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -45.51 -29.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.627 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.6 m-20 -74.28 -64.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -53.62 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -45.77 -48.11 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.705 ' CD1' HG22 ' A' ' 32' ' ' VAL . 9.2 t80 -38.72 -56.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -41.78 -38.68 2.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.6 -53.25 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.799 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.6 -37.48 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.81 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.7 mt -88.99 -31.56 18.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.05 -16.47 27.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.69 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.4 mt -46.24 165.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -107.95 -31.97 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 26' ' ' ILE . 14.2 p90 -87.27 164.04 37.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.689 HG21 HD13 ' A' ' 26' ' ' ILE . 11.4 t -105.81 159.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -91.26 149.11 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.705 HG22 ' CD1' ' A' ' 20' ' ' TYR . 53.4 t -94.17 135.22 24.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.91 73.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 22.1 m-30 -56.32 -52.73 63.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -47.17 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -54.98 -33.41 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.54 -26.76 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 1.4 mmmt -83.25 -55.9 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -44.78 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -120.17 113.49 34.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -21.26 16.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.98 45.57 3.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.8 m -105.24 -70.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' THR . 21.1 t -125.21 124.37 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt -89.88 134.19 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -118.05 123.49 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -136.39 164.85 27.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.29 -10.32 73.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.7 164.26 0.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.981 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 169.53 22.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 122.64 7.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.74 -6.32 57.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.981 HD12 ' HG2' ' A' ' 50' ' ' PRO . 16.3 mt -119.99 99.77 48.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.548 1.815 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.47 86.81 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -146.38 -179.91 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -66.27 149.53 97.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.06 -15.0 20.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.7 m -61.81 -36.53 81.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -80.44 -5.74 57.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.8 m-30 -103.64 142.26 34.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.96 166.82 35.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.422 ' HA ' HD12 ' A' ' 66' ' ' LEU . 6.2 p -46.23 -39.25 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -59.89 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.76 -45.42 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 12' ' ' VAL . 55.3 mt -55.83 -61.33 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.13 -32.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.818 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 56.6 mtt-85 -77.99 -54.97 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 76' ' ' ILE . 13.2 mt -44.48 -64.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' HG22 ' A' ' 12' ' ' VAL . 47.0 mt -48.04 -27.9 2.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.97 -55.78 9.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.458 HG21 ' CD ' ' A' ' 50' ' ' PRO . 27.4 m -89.55 18.39 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.07 -28.2 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -41.08 56.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mmtt -61.84 -50.59 71.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.2 mt -41.09 121.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -130.19 120.25 24.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -91.98 152.18 20.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 88.3 m -126.52 126.71 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 24' ' ' LEU . 42.4 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 29.5 mt -42.56 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.73 -41.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -44.85 93.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.6 mt-30 -54.24 -63.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.681 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.5 t -55.85 -46.96 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -36.44 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.3 -38.35 24.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.526 HD22 HD23 ' A' ' 70' ' ' LEU . 52.2 tp -51.39 -71.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -42.42 -40.67 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.628 ' HA ' HG23 ' A' ' 32' ' ' VAL . 56.1 m-20 -66.15 -56.03 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -52.7 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -43.41 -40.39 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.588 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.1 t80 -50.48 -50.17 53.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.1 -45.44 14.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -67.55 -55.79 12.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.44 -43.93 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.945 ' CD2' HG11 ' A' ' 80' ' ' VAL . 51.2 mt -82.63 -27.46 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.07 -15.19 55.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.739 HD13 HG21 ' A' ' 30' ' ' VAL . 7.1 mt -44.49 165.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -106.41 -31.86 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.693 ' CE1' HG21 ' A' ' 26' ' ' ILE . 12.9 p90 -88.22 164.46 33.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.48 4.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.739 HG21 HD13 ' A' ' 26' ' ' ILE . 12.1 t -109.03 160.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -99.1 152.21 20.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 17' ' ' ASN . 57.6 t -97.4 138.6 21.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 75.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -55.69 -53.37 57.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -65.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -53.5 -33.79 55.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 32' ' ' VAL . 12.5 mt -70.21 -24.31 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -78.86 -47.67 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.55 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -120.27 113.53 33.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.68 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.67 51.69 4.61 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.85 -61.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 t -129.15 120.48 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.5 132.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.858 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 25.1 mt -118.43 124.35 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -136.85 162.9 31.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.64 -10.46 70.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -48.7 164.7 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.008 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.456 1.766 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.48 7.25 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.54 1.811 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.72 -6.5 57.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.008 HD12 ' HG2' ' A' ' 50' ' ' PRO . 19.8 mt -119.99 100.01 48.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.91 10.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.53 88.23 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -147.53 179.59 7.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.34 147.23 98.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.24 19.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' A' ' 60' ' ' THR . 14.1 p -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.422 HG23 ' SG ' ' A' ' 59' ' ' CYS . 17.7 p -75.12 -2.86 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -109.77 164.32 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.36 166.16 14.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p -42.01 -51.92 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 29.3 m-80 -46.79 -54.76 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 12' ' ' VAL . 56.8 mt -46.97 -61.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -38.0 -33.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.831 ' HD3' HD11 ' A' ' 53' ' ' ILE . 45.5 mtp85 -76.6 -52.73 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.581 HG23 HD11 ' A' ' 76' ' ' ILE . 20.6 mt -45.65 -63.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.681 ' HG ' HG22 ' A' ' 12' ' ' VAL . 48.8 mt -51.28 -25.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -69.18 -54.19 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 25.0 m -91.23 20.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.619 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.92 -28.56 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 mmtt -62.01 -50.68 71.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 73' ' ' ALA . 38.5 mt -42.45 123.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 30.7 tttt -134.18 120.2 19.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.858 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -92.35 150.55 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -124.05 127.45 47.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.945 HG11 ' CD2' ' A' ' 24' ' ' LEU . 55.4 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 8' ' ' LEU . 26.9 mt -42.84 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -43.95 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -43.73 93.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 31.3 mt-30 -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' HG ' ' A' ' 70' ' ' LEU . 16.4 t -57.59 -47.16 85.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -51.09 -27.64 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD11 ' HB1' ' A' ' 73' ' ' ALA . 49.8 tp -51.95 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.526 ' HE1' HD13 ' A' ' 76' ' ' ILE . 21.0 m-85 -51.3 -44.58 61.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.784 ' HA ' HG23 ' A' ' 32' ' ' VAL . 18.3 m-20 -56.19 -55.07 37.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -57.07 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -39.93 -39.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.706 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.9 t80 -45.2 -53.23 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -43.45 -35.21 2.73 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.03 -53.45 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.57 -25.96 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 20' ' ' TYR . 49.7 mt -100.54 -26.21 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.4 60.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.165 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.686 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -45.93 165.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.69 -32.94 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.686 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.9 p90 -85.97 164.13 40.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.32 6.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -113.12 159.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -104.28 128.45 52.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.784 HG23 ' HA ' ' A' ' 17' ' ' ASN . 69.6 t -67.87 139.98 93.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.594 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 70.28 5.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.74 -39.77 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -57.55 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -54.62 -34.21 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 32' ' ' VAL . 13.0 mt -69.19 -30.05 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -74.97 -51.99 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -66.08 -40.88 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -120.23 113.4 33.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.46 12.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.74 3.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -102.28 -74.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 13.1 t -120.57 128.09 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.04 131.9 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.909 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 24.7 mt -116.62 122.26 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -135.76 164.44 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.81 -10.45 73.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.3 164.55 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.981 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 168.83 23.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.59 7.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.31 -5.96 57.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.981 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.3 mt -119.89 101.9 47.34 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 179.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -87.1 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.62 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -51.05 141.24 19.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -52.23 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 p -53.79 -26.57 24.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -9.55 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -109.3 157.73 18.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.34 156.41 49.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.591 ' HA ' HD12 ' A' ' 66' ' ' LEU . 21.8 p -44.83 -47.75 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -53.89 32.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.14 -37.47 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 63' ' ' SER . 61.8 mt -64.21 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.83 -31.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.85 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 39.4 mtp85 -74.58 -55.98 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.679 HG23 HD11 ' A' ' 76' ' ' ILE . 8.6 mt -46.16 -65.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.69 ' HG ' HG22 ' A' ' 12' ' ' VAL . 57.5 mt -45.84 -28.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.32 -56.14 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -90.83 19.85 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.78 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -47.33 -28.83 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -40.77 65.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.9 mmtt -62.5 -49.57 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 73' ' ' ALA . 33.5 mt -43.43 124.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -132.81 117.83 18.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.909 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.8 m-85 -90.16 151.03 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.2 m -130.7 123.97 30.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 24' ' ' LEU . 49.0 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 63' ' ' SER . 37.8 mt -44.17 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 1.8 ttm105 -38.68 -47.85 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -47.78 82.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' LEU . 10.7 mt-30 -53.05 -59.83 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.663 HG22 ' HG ' ' A' ' 70' ' ' LEU . 17.9 t -60.06 -47.64 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -50.65 -24.84 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.06 -38.76 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 70' ' ' LEU . 57.4 tp -48.74 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -41.92 -43.31 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.81 ' HA ' HG23 ' A' ' 32' ' ' VAL . 76.3 m-20 -63.66 -57.22 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.1 -58.43 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -41.14 -50.24 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.819 ' HE1' HG21 ' A' ' 44' ' ' VAL . 6.4 t80 -39.76 -53.8 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -42.01 -36.74 1.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' GLY . 31.4 mt-10 -72.13 -55.63 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -45.31 -31.1 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.63 HD11 ' CE2' ' A' ' 20' ' ' TYR . 47.2 mt -96.58 -27.94 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.63 -12.04 62.92 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.709 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -44.07 165.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 4.0 mmtt -106.83 -34.98 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.9 p90 -83.67 163.81 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -99.28 159.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -106.51 135.18 48.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.81 HG23 ' HA ' ' A' ' 17' ' ' ASN . 54.2 t -77.73 129.33 76.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.92 75.49 3.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 21.0 m-30 -55.33 -35.83 65.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -61.91 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -58.26 -29.94 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.9 mt -74.81 -24.31 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -79.61 -56.56 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -42.65 93.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.25 113.58 33.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.18 16.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.64 51.25 3.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -109.93 -74.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.819 HG21 ' HE1' ' A' ' 20' ' ' TYR . 22.7 t -121.1 126.68 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.49 132.56 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.857 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 29.5 mt -114.55 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -134.33 166.29 23.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.3 -10.23 75.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.84 164.39 0.36 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.973 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.77 6.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.784 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.51 -5.38 57.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.973 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.9 mt -119.25 99.97 50.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -84.88 91.23 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -150.49 179.75 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 148.06 98.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -10.94 21.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.7 -39.9 80.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.2 p -73.66 -3.17 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -111.74 168.91 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -113.75 167.92 12.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 52.8 p -38.05 -60.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 109.954 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -43.19 -63.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.901 HD21 HG23 ' A' ' 53' ' ' ILE . 5.4 t-20 -49.2 -41.92 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 12' ' ' VAL . 66.4 mt -62.72 -64.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.06 -32.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.846 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 81.1 mtt180 -75.21 -52.68 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.632 HG23 ' CD1' ' A' ' 76' ' ' ILE . 24.2 mt -48.38 -61.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 12' ' ' VAL . 50.9 mt -52.29 -25.98 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.846 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.22 -54.87 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.472 HG21 ' CD ' ' A' ' 50' ' ' PRO . 26.8 m -90.99 19.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -44.96 -28.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -73.97 -45.92 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.2 mmtt -61.0 -52.63 64.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.632 ' CD1' HG23 ' A' ' 69' ' ' ILE . 61.3 mt -39.54 120.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -131.03 127.63 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.857 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -96.77 150.54 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.7 m -122.87 134.95 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 24' ' ' LEU . 81.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.4 mt -42.72 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.88 -45.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.37 -46.73 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.9 mt-30 -52.9 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.8 t -54.95 -48.74 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.06 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -40.61 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.716 HD11 ' HB1' ' A' ' 73' ' ' ALA . 51.5 tp -46.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' HE1' HD13 ' A' ' 76' ' ' ILE . 20.5 m-85 -49.36 -42.15 41.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -59.85 -39.31 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -59.09 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -44.96 -40.25 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.753 ' CG ' HG22 ' A' ' 32' ' ' VAL . 31.4 t80 -52.95 -55.98 19.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.57 -39.61 10.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -63.28 -49.63 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.11 -23.1 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.915 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.6 mt -100.88 -24.75 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 100.07 -15.26 59.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.695 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.2 mt -48.71 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 0.79 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 6.6 mmtp -111.28 -32.77 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 26' ' ' ILE . 19.0 p90 -83.82 163.6 48.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.629 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.7 t -96.75 159.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -102.71 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.753 HG22 ' CG ' ' A' ' 20' ' ' TYR . 77.6 t -58.72 133.51 86.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.04 74.21 4.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -54.09 -43.48 70.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -38.51 50.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.81 -27.59 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.59 -53.72 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -42.48 92.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -120.16 113.71 33.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.04 18.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.85 49.73 3.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.5 t -110.99 -74.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.589 ' C ' HD13 ' A' ' 45' ' ' ILE . 9.7 t -122.32 116.2 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.79 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -87.65 127.65 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.3 mt -111.45 118.74 58.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -133.75 163.94 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.51 72.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.48 164.56 0.32 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 123.0 7.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 -6.55 57.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -119.85 100.17 48.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.8 8.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.05 89.94 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -150.67 179.69 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -67.13 147.41 99.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -74.97 -10.85 21.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -68.83 -19.65 64.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 p -95.58 -7.42 37.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.2 m-30 -105.18 148.21 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.03 164.9 34.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 66' ' ' LEU . 35.8 p -41.79 -47.25 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -59.66 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -51.42 -38.81 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.489 HD22 HG21 ' A' ' 12' ' ' VAL . 70.8 mt -63.92 -63.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -37.67 -32.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 52.1 mtp180 -73.76 -57.3 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.649 HG23 HD11 ' A' ' 76' ' ' ILE . 5.1 mt -43.58 -63.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 12' ' ' VAL . 51.1 mt -49.52 -29.94 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -64.73 -54.53 30.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.409 HG21 ' CD ' ' A' ' 50' ' ' PRO . 29.4 m -91.83 21.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -47.97 -27.8 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -43.11 59.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.6 mmtt -60.84 -50.76 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 73' ' ' ALA . 47.8 mt -42.13 122.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -131.55 128.87 40.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -99.63 151.73 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -121.61 132.2 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.915 HG11 ' CD2' ' A' ' 24' ' ' LEU . 72.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.2 mt -41.36 -70.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 1.9 ttm105 -42.93 -41.3 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -39.28 85.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.3 mt-30 -58.99 -62.0 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' HG ' ' A' ' 70' ' ' LEU . 11.4 t -57.41 -45.43 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.35 -26.01 11.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.91 -39.04 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.614 HD22 HD23 ' A' ' 70' ' ' LEU . 52.5 tp -48.23 -71.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -42.97 -48.39 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.563 ' HA ' HG23 ' A' ' 32' ' ' VAL . 58.0 m-20 -57.14 -54.38 47.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -50.4 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -47.6 -46.5 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CG ' HG22 ' A' ' 32' ' ' VAL . 4.1 t80 -45.83 -57.22 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.78 -36.22 1.06 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -75.84 -52.19 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -22.77 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.84 ' CD2' HG11 ' A' ' 80' ' ' VAL . 43.9 mt -103.12 -28.35 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.09 -12.63 57.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.135 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.687 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.8 mt -48.9 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.5 mttt -109.49 -32.95 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.687 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.4 p90 -84.71 164.2 43.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.95 5.44 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.54 HG21 HD13 ' A' ' 26' ' ' ILE . 10.5 t -107.6 158.37 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -103.97 121.48 43.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.66 HG22 ' CG ' ' A' ' 20' ' ' TYR . 53.3 t -69.85 139.17 88.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.02 72.3 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.812 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -54.02 -55.68 25.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -64.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -33.77 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 HG12 ' A' ' 32' ' ' VAL . 12.7 mt -70.28 -25.18 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -79.83 -37.52 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -41.26 29.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -120.23 113.47 33.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.58 20.64 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.534 1.808 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.37 48.54 2.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -65.1 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 0.722 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 78' ' ' PHE . 17.5 t -129.74 117.81 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 5.6 mt -88.12 132.12 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.899 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.6 mt -116.61 123.86 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -137.0 162.73 32.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.36 71.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.43 165.04 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.95 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 169.01 23.56 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.47 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.48 -5.22 57.03 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.95 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -119.69 101.02 48.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 179.91 5.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -89.06 88.69 7.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -148.09 179.76 7.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 2.6 mttt -50.3 134.46 24.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -74.96 -47.6 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.0 p -58.86 -21.98 58.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -74.55 -10.77 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.16 175.62 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.1 163.09 26.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 p -45.44 -57.17 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.66 -58.41 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.899 HD21 HG23 ' A' ' 53' ' ' ILE . 4.3 t-20 -50.66 -41.37 55.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' O ' ' A' ' 58' ' ' PRO . 73.7 mt -63.59 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.94 -32.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.855 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 62.0 mtp85 -74.23 -52.42 12.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.719 HG23 HD11 ' A' ' 76' ' ' ILE . 20.0 mt -47.29 -63.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HG ' HG22 ' A' ' 12' ' ' VAL . 47.2 mt -51.03 -28.01 9.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -62.51 -52.56 62.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.478 HG21 ' CD ' ' A' ' 50' ' ' PRO . 24.6 m -94.7 20.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -43.74 -28.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -71.99 -49.08 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.3 mmtt -56.02 -52.12 65.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.719 HD11 HG23 ' A' ' 69' ' ' ILE . 38.0 mt -40.22 124.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -136.04 123.38 21.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.899 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -94.07 151.9 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 41.3 m -125.28 137.85 54.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.84 HG11 ' CD2' ' A' ' 24' ' ' LEU . 43.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.9 mt -40.55 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.51 -39.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -43.79 80.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' LEU . 15.8 mt-30 -54.19 -60.24 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' HG ' ' A' ' 70' ' ' LEU . 29.9 t -58.79 -53.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -44.66 -25.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 -43.58 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.679 HD22 HD23 ' A' ' 70' ' ' LEU . 54.2 tp -42.77 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.3 -34.7 16.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.565 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -65.1 -52.82 53.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -56.45 18.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -40.71 -34.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.603 ' CE2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -55.97 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.01 -33.24 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -76.44 -51.3 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -23.52 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.842 ' CD2' HG11 ' A' ' 80' ' ' VAL . 47.1 mt -102.45 -25.46 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 102.93 -20.48 43.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.683 HD13 HG21 ' A' ' 30' ' ' VAL . 8.6 mt -45.03 164.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -109.1 -31.58 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.67 ' CE1' HG21 ' A' ' 26' ' ' ILE . 13.3 p90 -87.61 164.16 35.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.683 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -110.26 159.56 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -84.82 156.27 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 17' ' ' ASN . 54.4 t -112.15 133.38 21.71 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 71.43 5.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' LYS . 38.7 m-85 -55.53 -52.94 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 2.9 tmtt? -48.57 -67.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -52.39 -33.43 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.84 -22.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -80.58 -37.73 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -79.57 -44.21 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -120.28 113.48 33.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.86 14.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.56 -24.97 71.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.78 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG21 ' HE1' ' A' ' 20' ' ' TYR . 9.6 t -127.44 119.88 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -87.92 127.69 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.919 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.6 mt -113.69 123.14 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -137.23 164.37 28.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.26 -10.34 73.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.74 164.82 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.006 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.02 23.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 123.57 7.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.42 -6.61 57.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.587 1.179 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.006 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.8 mt -120.01 101.36 47.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.05 7.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.44 91.16 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -151.17 178.4 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.69 149.86 91.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.03 -17.62 19.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.0 t -62.05 -26.79 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.0 p -90.65 -0.18 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.0 m-30 -111.73 132.45 54.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.19 164.0 54.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 p -43.52 -39.72 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.96 13.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -54.29 -38.86 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.528 HD22 HG21 ' A' ' 12' ' ' VAL . 76.2 mt -63.31 -64.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -38.55 -32.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.982 ' HD3' HD11 ' A' ' 53' ' ' ILE . 1.2 mtt-85 -73.47 -50.57 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.672 HG23 HD11 ' A' ' 76' ' ' ILE . 11.2 mt -50.82 -65.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.679 HD23 HD22 ' A' ' 15' ' ' LEU . 51.4 mt -46.43 -25.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.02 -56.68 9.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 21.9 m -91.51 19.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.651 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -45.26 -28.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -72.86 -45.82 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.0 mmtt -57.74 -51.03 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.672 HD11 HG23 ' A' ' 69' ' ' ILE . 37.3 mt -40.22 126.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.5 tttt -135.11 121.07 19.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.919 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -94.15 150.63 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -126.67 123.04 36.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.842 HG11 ' CD2' ' A' ' 24' ' ' LEU . 73.8 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.4 mt -39.99 -66.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 2.0 ttp-105 -41.88 -43.95 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.59 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 35.4 mt-30 -56.18 -58.37 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.623 HG22 ' HG ' ' A' ' 70' ' ' LEU . 20.2 t -60.82 -50.45 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -25.51 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.41 -37.76 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.743 HD22 HD23 ' A' ' 70' ' ' LEU . 28.7 tp -50.65 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -46.51 -34.07 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.573 ' HA ' HG23 ' A' ' 32' ' ' VAL . 3.2 m-20 -68.63 -58.64 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -53.19 -54.85 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -42.59 -42.62 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.623 ' CE2' HD11 ' A' ' 24' ' ' LEU . 5.8 t80 -46.48 -55.16 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -40.13 -38.72 1.35 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.26 -52.73 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.25 -31.12 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.814 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.2 mt -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.06 -18.91 44.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.692 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.5 mt -46.89 165.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.2 mmtp -107.99 -33.7 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.692 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.3 p90 -84.73 164.17 43.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 26' ' ' ILE . 10.0 t -112.04 159.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.17 157.18 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 17' ' ' ASN . 59.9 t -109.2 135.94 20.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.05 75.65 3.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 5.6 m-30 -57.11 -60.6 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -42.53 -65.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -52.05 -35.94 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.5 mt -71.2 -22.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -81.73 -46.25 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -45.04 50.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -120.23 113.37 33.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.05 15.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.59 -24.92 73.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -41.06 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 0.784 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 ' HE1' ' A' ' 20' ' ' TYR . 8.7 t -133.05 121.55 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.65 132.04 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.847 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 26.5 mt -116.26 125.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.2 mm-40 -138.68 164.0 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.19 -10.62 73.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -48.54 164.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.007 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 169.44 22.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 122.88 7.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.65 -6.71 57.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.007 HD12 ' HG2' ' A' ' 50' ' ' PRO . 21.9 mt -119.99 100.4 48.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.49 9.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.6 92.12 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -152.07 177.91 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HD2' ' CG ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -63.93 150.98 90.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.0 -20.37 16.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.803 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.5 -42.35 96.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.8 p -69.62 -10.67 59.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.1 m-30 -101.05 147.09 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.1 166.42 33.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.1 p -42.82 -44.26 4.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -59.58 -57.04 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 14.4 m-20 -52.67 -37.68 59.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 HG21 ' A' ' 12' ' ' VAL . 63.6 mt -63.49 -65.04 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.33 -32.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.956 ' HD3' HD11 ' A' ' 53' ' ' ILE . 9.2 mtp180 -73.48 -53.77 9.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.657 HG23 HD11 ' A' ' 76' ' ' ILE . 5.4 mt -49.3 -66.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.743 HD23 HD22 ' A' ' 15' ' ' LEU . 50.9 mt -45.1 -27.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -66.83 -54.95 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LYS . 28.0 m -93.87 18.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.785 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -44.39 -28.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -72.68 -47.42 47.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.9 mmtt -55.4 -50.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.2 mt -40.92 124.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.8 ttmt -133.91 122.2 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.847 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -93.92 150.38 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -126.56 116.88 21.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.814 HG11 ' CD2' ' A' ' 24' ' ' LEU . 50.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . 36.8 mt -39.88 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -42.2 -42.28 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -39.69 86.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.583 ' NE2' HD13 ' A' ' 70' ' ' LEU . 33.6 mt-30 -53.36 -57.54 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 70' ' ' LEU . 60.2 t -64.31 -54.91 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -28.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.31 -39.55 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 30.0 tp -48.39 -71.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -45.03 -35.13 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.676 ' HA ' HG23 ' A' ' 32' ' ' VAL . 8.5 m-20 -68.89 -61.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -56.05 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -41.61 -44.53 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.6 t80 -44.18 -53.88 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -38.57 -32.57 0.16 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.43 -53.2 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -30.61 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 20' ' ' TYR . 63.2 mt -97.4 -25.47 15.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 96.47 -12.05 66.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.69 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.8 mt -47.52 165.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmtp -107.52 -32.68 7.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.3 p90 -86.53 164.05 39.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.31 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -103.39 161.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -105.85 125.25 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.676 HG23 ' HA ' ' A' ' 17' ' ' ASN . 74.5 t -65.34 138.1 96.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.517 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.03 70.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 30.6 m-85 -53.99 -45.05 71.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -64.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -53.43 -36.04 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.433 HD11 ' HB ' ' A' ' 44' ' ' VAL . 17.9 mt -68.52 -27.35 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -58.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -41.34 86.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -120.18 113.4 34.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -16.5 20.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.39 45.28 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.69 -80.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 ' HE1' ' A' ' 20' ' ' TYR . 19.9 t -113.73 124.97 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt -91.61 133.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.905 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 25.0 mt -117.05 127.26 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.24 164.56 29.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.59 -10.44 74.08 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.05 164.53 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.991 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 169.05 23.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.88 7.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.62 -5.76 57.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.991 HD12 ' HG2' ' A' ' 50' ' ' PRO . 22.8 mt -119.87 101.54 47.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.75 8.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.86 87.58 7.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.72 179.87 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -64.65 147.08 98.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.04 -13.19 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.67 -36.2 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -78.64 -1.76 35.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.4 m-30 -109.65 154.54 22.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -100.54 162.66 18.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.423 ' HA ' HD12 ' A' ' 66' ' ' LEU . 35.8 p -39.19 -43.38 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -56.95 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -58.66 -37.85 76.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' ARG . 54.6 mt -64.42 -63.5 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.38 -33.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.846 ' HD3' HD11 ' A' ' 53' ' ' ILE . 13.0 mtp85 -73.74 -53.82 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.636 HG23 HD11 ' A' ' 76' ' ' ILE . 4.4 mt -48.64 -59.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' NE2' ' A' ' 11' ' ' GLN . 56.4 mt -50.17 -23.62 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -72.19 -56.94 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.19 21.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.718 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.88 -26.3 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -41.42 44.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -61.33 -50.31 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 73' ' ' ALA . 31.8 mt -40.96 123.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -131.8 123.22 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.905 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -95.25 151.93 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.9 m -125.52 132.9 52.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.651 HG11 ' CD2' ' A' ' 24' ' ' LEU . 69.3 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.0 mt -40.76 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.71 -44.66 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -42.69 95.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.9 mt-30 -55.86 -60.85 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.646 HG22 ' HG ' ' A' ' 70' ' ' LEU . 20.4 t -56.57 -50.87 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.66 -29.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.15 -43.73 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 ' HB1' ' A' ' 73' ' ' ALA . 47.8 tp -46.4 -71.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -40.37 -43.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.623 ' HA ' HG23 ' A' ' 32' ' ' VAL . 4.0 m-20 -63.75 -61.97 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -48.9 -52.35 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -46.08 -47.15 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.725 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.6 t80 -42.51 -56.14 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.9 -42.72 1.58 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.9 mt-10 -68.54 -54.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.734 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.64 -26.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.577 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.2 mt -100.61 -27.98 13.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.34 -16.56 52.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.683 HG21 ' CE1' ' A' ' 28' ' ' TYR . 6.9 mt -45.43 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 mttt -105.28 -31.8 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.683 ' CE1' HG21 ' A' ' 26' ' ' ILE . 12.1 p90 -89.62 164.18 30.26 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 125.63 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG21 HD13 ' A' ' 26' ' ' ILE . 7.4 t -115.66 158.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -89.27 155.4 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 20' ' ' TYR . 67.1 t -100.15 138.21 20.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.526 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.02 74.09 4.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.57 -50.81 67.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.7 mttt -51.19 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -52.4 -31.95 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.434 HD12 HG12 ' A' ' 32' ' ' VAL . 13.9 mt -73.62 -21.58 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -86.87 -57.53 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.46 97.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.15 113.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.1 48.02 3.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -104.25 -72.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.551 HG21 ' HE1' ' A' ' 20' ' ' TYR . 19.4 t -124.01 125.28 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.43 134.65 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.906 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 21.9 mt -118.22 128.59 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' LYS . 8.5 mm-40 -141.15 164.38 30.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.85 -10.21 74.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.54 164.53 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.03 168.98 23.62 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.439 1.757 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.83 7.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.76 -6.13 56.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.9 mt -119.9 99.28 49.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.55 18.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -76.71 83.73 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.36 178.9 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.36 140.06 25.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.496 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 24.9 p -55.32 -22.19 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -9.48 58.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 15.9 m-85 -106.5 154.74 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.41 159.87 53.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' HD12 ' A' ' 66' ' ' LEU . 57.7 p -46.18 -53.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.39 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 38.7 m-80 -56.26 -38.78 71.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 12' ' ' VAL . 72.3 mt -63.98 -63.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mt-10 -37.3 -32.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.843 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 46.6 mtp85 -73.46 -55.65 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 76' ' ' ILE . 11.4 mt -45.44 -65.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.646 ' HG ' HG22 ' A' ' 12' ' ' VAL . 51.7 mt -47.61 -28.38 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.843 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -66.91 -55.24 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -91.28 20.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.45 -27.62 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.7 mmtt -63.3 -48.29 78.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 73' ' ' ALA . 42.9 mt -43.71 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' GLU . 27.5 tttm -134.58 121.17 20.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -93.6 151.27 19.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 52.3 m -125.0 131.04 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 24' ' ' LEU . 68.1 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 8' ' ' LEU . 26.0 mt -41.45 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 8.5 ttp-105 -39.15 -54.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -51.08 58.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.9 -57.26 8.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 66' ' ' LEU . 46.6 t -60.59 -56.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -39.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.34 -41.64 32.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 HD23 ' A' ' 70' ' ' LEU . 47.5 tp -48.6 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -40.06 -44.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.529 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.8 m120 -63.79 -58.46 6.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -53.75 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -43.62 -52.42 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.699 ' HE1' HG21 ' A' ' 44' ' ' VAL . 5.7 t80 -39.43 -58.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -37.72 -36.69 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.4 -53.13 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.25 -33.97 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 20' ' ' TYR . 51.5 mt -93.49 -27.55 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.1 -14.24 55.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.9 mt -47.89 165.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -108.35 -32.05 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 16.5 p90 -86.66 164.07 38.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.47 4.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.601 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -106.51 158.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -83.3 158.67 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' ' 20' ' ' TYR . 73.7 t -114.32 130.38 24.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.29 3.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' LYS . 4.4 m-30 -55.65 -59.62 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -66.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -50.9 -37.77 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 mt -68.03 -26.91 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -78.83 -48.33 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.71 -45.02 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -120.19 113.48 33.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.56 5.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.3 28.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -46.87 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.699 HG21 ' HE1' ' A' ' 20' ' ' TYR . 15.8 t -125.84 123.48 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 2.3 mt -92.47 130.63 41.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.876 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 28.3 mt -115.79 126.49 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.48 165.65 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.84 -10.38 74.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.97 164.36 0.29 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.974 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 169.29 22.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.94 7.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -5.89 57.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.974 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.93 101.4 47.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.96 90.41 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -151.65 -178.62 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 60' ' ' THR . 17.1 ptpt -66.49 155.75 87.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -0.11 9.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.9 -17.36 38.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 57' ' ' LYS . 3.2 p -88.98 -8.73 53.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE1' ' OG1' ' A' ' 60' ' ' THR . 6.2 m-85 -116.06 160.13 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.05 171.94 21.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -42.09 -58.09 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.73 -60.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 25.5 m-20 -51.93 -57.92 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 12' ' ' VAL . 60.1 mt -44.36 -60.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.51 -34.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.799 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 56.0 mtt180 -75.59 -55.93 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HG21 ' A' ' 53' ' ' ILE . 7.9 mt -42.75 -67.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.611 ' HG ' HG22 ' A' ' 12' ' ' VAL . 49.6 mt -46.57 -28.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -70.37 -53.69 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.2 m -90.32 19.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.579 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.5 -27.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -43.19 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.8 mmtt -59.12 -51.35 70.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 73' ' ' ALA . 27.0 mt -42.96 118.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -129.1 122.32 29.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.876 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -93.77 151.49 19.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 41.3 m -130.14 122.19 27.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.493 HG11 ' CD2' ' A' ' 24' ' ' LEU . 14.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.6 mt -48.79 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -52.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.5 -49.69 69.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.09 -56.12 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 70' ' ' LEU . 62.0 t -64.61 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -44.76 -25.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -93.65 -36.12 12.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' VAL . 42.0 tp -51.96 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -46.27 -35.27 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.594 ' HA ' HG23 ' A' ' 32' ' ' VAL . 60.2 m-20 -68.3 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -53.46 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -41.64 -48.73 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.649 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.8 t80 -37.82 -59.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.49 -38.24 0.62 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.12 -53.43 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.47 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 20' ' ' TYR . 53.2 mt -102.57 -25.2 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 97.78 -13.31 63.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.7 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.8 mt -47.98 165.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.89 -34.26 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.7 ' CE1' HG21 ' A' ' 26' ' ' ILE . 16.9 p90 -83.78 163.86 47.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.11 11.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 26' ' ' ILE . 8.3 t -121.94 157.84 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -103.27 130.99 50.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 20' ' ' TYR . 73.9 t -69.81 139.42 88.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 73.82 4.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -55.17 -42.15 72.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -66.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -54.38 -32.77 57.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 HG12 ' A' ' 32' ' ' VAL . 11.2 mt -70.98 -28.43 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.96 25.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -41.16 74.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -120.16 113.56 33.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.12 17.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.74 43.66 2.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.76 -76.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.479 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 17.0 t -118.9 126.53 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mt -92.75 133.35 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.921 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 21.5 mt -117.0 128.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.9 mm-40 -140.13 164.34 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.62 -10.73 73.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.04 164.43 0.3 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.029 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.63 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.55 -7.57 57.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.143 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.029 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.4 mt -119.99 99.9 48.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.32 8.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -79.86 90.7 5.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -151.84 178.58 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.87 151.94 84.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.4 Cg_endo -74.98 -15.43 20.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.7 p -65.92 -33.15 75.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.6 p -79.16 -2.29 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.2 m-30 -111.68 153.99 25.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.73 164.29 20.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.499 ' HA ' HD12 ' A' ' 66' ' ' LEU . 15.0 p -40.85 -47.77 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -53.91 -59.25 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.29 -45.68 62.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 63' ' ' SER . 46.2 mt -55.94 -60.99 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.49 -32.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.805 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 87.1 mtt180 -77.26 -54.93 5.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.661 HD11 HG21 ' A' ' 53' ' ' ILE . 5.4 mt -44.67 -63.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.548 ' CD2' HG22 ' A' ' 12' ' ' VAL . 43.9 mt -50.83 -25.67 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -70.42 -53.14 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.4 m -93.21 19.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.0 -28.4 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -38.75 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.4 mmtt -64.66 -50.24 67.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 73' ' ' ALA . 42.4 mt -40.61 126.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.6 tttp -136.63 118.97 15.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.921 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.9 m-85 -90.24 151.91 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -129.87 118.86 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 24' ' ' LEU . 5.6 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 35.9 mt -43.01 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -46.93 -34.37 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.51 -33.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.2 mt-30 -65.14 -62.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.715 HG22 ' HG ' ' A' ' 70' ' ' LEU . 12.5 t -55.41 -45.6 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -29.03 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.77 -38.93 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 46.0 tp -53.94 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CD2' ' HG3' ' A' ' 58' ' ' PRO . 5.8 m-30 -44.95 -32.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -54.93 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -53.82 53.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -42.0 -51.97 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.777 ' HE1' HG21 ' A' ' 44' ' ' VAL . 6.9 t80 -44.09 -56.61 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.4 -36.39 0.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -71.53 -55.32 8.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -47.33 -25.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 20' ' ' TYR . 58.8 mt -100.88 -29.08 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.02 -18.91 45.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.706 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.3 mt -44.62 165.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -107.63 -34.03 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.706 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.9 p90 -84.51 163.37 47.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.17 3.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.6 t -97.27 162.66 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 158.18 17.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.519 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.3 t -109.51 122.61 38.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 82.15 2.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.19 -47.55 85.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -50.2 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -53.62 -29.61 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.21 -21.57 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -56.12 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.0 m -58.51 -40.38 82.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.12 113.48 34.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -18.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.8 38.76 3.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.72 -76.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.777 HG21 ' HE1' ' A' ' 20' ' ' TYR . 10.5 t -121.81 120.98 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.817 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -89.52 126.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.886 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 20.4 mt -112.36 121.53 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 77' ' ' LYS . 19.6 mm-40 -136.05 164.33 28.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.98 -10.38 73.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -49.58 164.29 0.34 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.025 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.94 169.21 23.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.75 8.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -7.23 57.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.025 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.5 mt -119.81 100.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.97 178.43 7.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.43 91.25 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -150.9 -179.13 7.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -51.0 139.35 23.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HG3' ' CD2' ' A' ' 16' ' ' PHE . 18.3 Cg_endo -74.97 -57.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.764 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 9' ' ' ARG . 30.3 p -54.82 -22.1 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.98 -7.86 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 19.2 m-85 -108.45 165.68 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.31 159.31 40.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.56 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.8 p -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -51.6 35.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 7.2 m-20 -58.47 -38.65 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 63' ' ' SER . 66.2 mt -62.64 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.69 -32.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.968 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -73.47 -50.09 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.607 HG23 HD11 ' A' ' 76' ' ' ILE . 18.3 mt -51.37 -68.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.715 ' HG ' HG22 ' A' ' 12' ' ' VAL . 52.9 mt -44.39 -26.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.55 -57.09 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.449 HG21 ' CD ' ' A' ' 50' ' ' PRO . 31.4 m -91.63 20.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.707 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.53 -28.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -44.61 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.5 mmtt -59.83 -51.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 73' ' ' ALA . 29.3 mt -40.7 121.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 59.2 tttt -131.08 129.98 42.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.886 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -102.16 150.56 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 3.3 m -124.9 140.96 52.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' HB1' ' A' ' 23' ' ' ALA . 67.7 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' GLN . 57.9 mt -45.09 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.78 -36.84 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.55 -40.98 80.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . 7.2 mt-30 -56.23 -62.18 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.625 HG22 ' HG ' ' A' ' 70' ' ' LEU . 29.8 t -53.76 -54.37 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -26.92 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -91.43 -43.98 9.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD22 HD23 ' A' ' 70' ' ' LEU . 54.2 tp -45.12 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.4 m-85 -50.3 -46.56 55.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.94 -40.64 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -72.53 -60.88 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -43.34 -42.2 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.644 ' CG ' HG22 ' A' ' 32' ' ' VAL . 13.8 t80 -47.93 -59.19 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.9 -41.31 13.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -62.41 -48.88 77.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -62.05 -15.47 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.743 HD23 HG11 ' A' ' 80' ' ' VAL . 46.2 mt -106.25 -12.9 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 91.95 -29.18 7.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.5 mt -44.91 165.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.2 mtmt -111.01 -35.06 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.689 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.6 p90 -81.13 163.46 55.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.1 t -97.64 159.67 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.09 135.0 34.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.644 HG22 ' CG ' ' A' ' 20' ' ' TYR . 55.0 t -95.2 117.37 66.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 77.55 3.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 56.5 m-85 -58.7 -43.67 90.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -56.27 -34.35 66.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 17.0 mt -70.86 -27.97 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -74.01 -53.68 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -66.91 -40.34 87.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -120.21 113.53 33.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.5 10.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -40.25 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.638 HG21 ' HE1' ' A' ' 20' ' ' TYR . 10.3 t -132.74 120.06 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mt -94.39 128.36 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.888 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 27.6 mt -110.77 123.79 66.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.6 mm-40 -136.19 162.77 32.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.7 68.42 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.27 164.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 168.59 24.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.26 7.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.65 57.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.985 HD11 ' HD3' ' A' ' 68' ' ' ARG . 16.2 mt -120.07 100.62 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -81.55 87.27 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -142.7 179.66 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 146.96 92.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -74.97 -8.16 19.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.67 -35.59 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -76.57 -4.85 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.0 m-30 -103.29 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -109.08 159.71 13.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.6 p -39.34 -46.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 110.048 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -58.59 7.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -54.9 -38.76 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.337 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 12' ' ' VAL . 78.9 mt -62.17 -64.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.73 -31.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.985 ' HD3' HD11 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -75.05 -49.85 18.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.643 HG23 HD11 ' A' ' 76' ' ' ILE . 8.3 mt -49.92 -64.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.625 ' HG ' HG22 ' A' ' 12' ' ' VAL . 45.7 mt -48.99 -26.49 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.883 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -63.92 -56.07 17.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' CD ' ' A' ' 50' ' ' PRO . 27.3 m -91.17 20.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -45.42 -27.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -47.92 36.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ILE . 9.3 mmtt -56.18 -51.31 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.643 HD11 HG23 ' A' ' 69' ' ' ILE . 41.8 mt -39.87 127.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.5 tttt -138.83 123.42 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.888 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -92.84 151.31 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.8 m -122.22 130.04 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.743 HG11 HD23 ' A' ' 24' ' ' LEU . 69.6 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.9 mt -42.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.63 -39.27 1.03 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -44.93 77.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 21.0 mt-30 -52.56 -60.37 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.701 HG22 ' HG ' ' A' ' 70' ' ' LEU . 7.7 t -57.94 -45.53 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -48.95 -29.84 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.57 -38.72 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD22 HD23 ' A' ' 70' ' ' LEU . 57.9 tp -51.36 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 109.313 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -43.7 -36.56 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.587 ' HA ' HG23 ' A' ' 32' ' ' VAL . 38.0 m-20 -69.08 -55.22 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.17 -54.49 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 18.0 mmtt -40.27 -43.81 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.746 ' HE1' HG21 ' A' ' 44' ' ' VAL . 5.2 t80 -50.79 -57.33 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.22 -36.22 0.54 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.8 mt-10 -70.56 -56.44 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.726 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -44.83 -36.56 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 20' ' ' TYR . 49.1 mt -89.98 -28.6 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 99.92 -11.45 60.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.684 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.4 mt -44.91 165.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmpt? -107.03 -32.67 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.684 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.8 p90 -86.71 164.14 38.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 26' ' ' ILE . 11.4 t -107.5 160.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.62 148.15 24.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.687 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.6 t -89.01 136.73 30.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.98 73.28 4.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -54.88 -35.29 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -62.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -56.95 -27.19 60.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.44 HD12 ' CG1' ' A' ' 32' ' ' VAL . 17.2 mt -77.7 -21.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.94 -55.88 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -61.0 -41.93 97.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.962 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -120.14 113.44 34.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.01 12.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.3 46.88 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.0 m -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.746 HG21 ' HE1' ' A' ' 20' ' ' TYR . 11.7 t -118.09 120.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.82 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -88.31 128.19 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.914 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.7 mt -114.36 118.89 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -134.28 164.11 28.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.72 70.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -48.49 164.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.976 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.53 -6.29 57.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.976 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -119.8 99.59 49.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.57 0.806 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.75 17.71 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.511 1.796 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.06 85.53 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -144.96 179.6 7.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.38 141.71 15.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.444 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.97 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.57 -26.13 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -68.56 -13.33 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.2 m-85 -105.09 144.37 31.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 161.8 34.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' HD12 ' A' ' 66' ' ' LEU . 50.6 p -47.83 -50.08 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -51.91 43.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 31.9 m-80 -59.08 -37.87 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 12' ' ' VAL . 83.9 mt -63.87 -63.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -36.95 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.848 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 52.8 mtp85 -73.67 -54.32 8.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.588 HG23 HD11 ' A' ' 76' ' ' ILE . 16.2 mt -45.69 -66.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.701 ' HG ' HG22 ' A' ' 12' ' ' VAL . 60.1 mt -46.75 -29.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.83 -54.85 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.3 m -91.54 20.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.685 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.76 -27.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.51 -43.08 60.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.9 mmtt -60.09 -51.7 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 73' ' ' ALA . 24.3 mt -41.08 122.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 31.1 tttt -131.71 123.86 28.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.914 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -96.9 149.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 3.2 m -123.97 144.64 49.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.542 HG23 ' HB1' ' A' ' 23' ' ' ALA . 73.9 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 28.0 mt -40.4 -70.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -40.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -44.2 84.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 12.2 mt-30 -53.54 -60.06 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.8 t -57.48 -51.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -29.67 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -89.47 -33.97 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 73' ' ' ALA . 52.3 tp -55.22 -71.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -48.86 -31.98 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 7.8 m-20 -70.05 -59.92 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.59 -55.28 31.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 26.9 mmtt -40.24 -43.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.7 t80 -47.68 -57.87 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -39.02 -36.03 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . 66.1 mt-10 -75.47 -55.49 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -31.64 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.948 ' CD2' HG11 ' A' ' 80' ' ' VAL . 28.4 mt -94.64 -29.08 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 102.44 -13.91 56.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.8 mt -45.99 165.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.64 -33.48 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.7 p90 -85.39 164.46 40.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 26' ' ' ILE . 11.0 t -108.0 161.25 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -107.65 133.55 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG22 ' CD1' ' A' ' 20' ' ' TYR . 72.0 t -73.43 136.0 78.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 72.49 4.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -53.79 -54.43 38.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -45.43 -66.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -53.32 -31.28 43.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.454 HD12 HG12 ' A' ' 32' ' ' VAL . 11.1 mt -72.38 -23.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -79.37 -47.63 15.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 m -66.9 -43.65 82.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -120.17 113.33 34.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.54 14.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.417 1.746 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.51 43.29 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.68 -72.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.4 t -121.0 120.41 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -88.2 134.09 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.841 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -120.12 128.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -141.75 161.94 36.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.03 -10.73 69.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -47.64 164.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 168.84 23.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.92 6.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.88 -4.88 56.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 18.1 mt -119.86 102.04 47.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.87 12.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CE1' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -79.35 83.88 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -144.12 -179.78 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -68.22 149.88 97.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.608 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.08 -11.44 21.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.89 -43.81 97.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 p -75.93 -2.24 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.608 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.2 m-30 -103.43 154.32 19.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.11 164.8 18.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 p -45.62 -39.09 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -53.99 47.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.57 -39.26 87.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.596 HD22 HG21 ' A' ' 12' ' ' VAL . 70.9 mt -62.24 -63.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -36.9 -34.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.6 mtp85 -74.09 -54.71 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.678 HD11 HG21 ' A' ' 53' ' ' ILE . 4.0 mt -44.75 -66.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 12' ' ' VAL . 50.5 mt -46.6 -28.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.61 -53.75 25.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 75' ' ' LYS . 19.5 m -91.81 20.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.45 -27.13 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -40.62 60.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 mmtt -62.32 -50.01 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 73' ' ' ALA . 41.5 mt -43.01 129.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.4 tttm -138.56 117.86 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -90.9 151.52 21.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.6 m -124.36 127.16 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 24' ' ' LEU . 70.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 mt -40.71 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.1 ttm105 -39.04 -46.54 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.43 -44.86 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -52.04 -58.85 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.661 HG22 ' HG ' ' A' ' 70' ' ' LEU . 12.3 t -60.15 -44.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -24.71 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -93.88 -41.49 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 70' ' ' LEU . 57.4 tp -47.06 -71.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' HE1' HD13 ' A' ' 76' ' ' ILE . 9.6 m-30 -45.79 -48.35 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -56.58 -37.72 70.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.75 -62.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -43.59 -41.26 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.809 ' CG ' HG22 ' A' ' 32' ' ' VAL . 33.1 t80 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -37.37 -40.51 0.64 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 47.9 mt-10 -65.32 -52.94 50.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.7 -26.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.91 ' CD2' HG11 ' A' ' 80' ' ' VAL . 59.2 mt -99.56 -30.52 12.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 108.64 -21.26 28.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.7 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.1 mt -45.13 165.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -109.7 -36.34 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.7 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.8 p90 -80.25 163.76 55.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.14 3.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.612 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.6 t -98.68 158.54 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.2 109.72 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.809 HG22 ' CG ' ' A' ' 20' ' ' TYR . 76.3 t -55.67 140.56 66.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 70.1 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -54.8 -55.77 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -29.95 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.452 HD12 HG12 ' A' ' 32' ' ' VAL . 16.8 mt -72.49 -22.4 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -85.05 -53.2 5.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -63.64 -43.93 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -120.14 113.49 34.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.09 20.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.62 50.29 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -110.03 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.5 t -120.89 120.06 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.09 133.85 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.944 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 19.6 mt -116.73 127.1 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.84 166.17 24.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.77 -10.81 73.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.44 HD23 ' CG1' ' A' ' 76' ' ' ILE . 11.7 mt -49.13 164.1 0.32 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.961 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 168.96 23.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.41 -6.28 57.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.961 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.2 mt -119.52 99.41 49.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 170.48 20.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.53 86.61 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.5 mmt-85 -145.86 -179.9 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -51.09 141.0 20.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.456 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.05 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.768 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.408 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 7.6 p -53.54 -25.75 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -6.89 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.5 m-85 -113.19 153.05 28.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.84 164.22 53.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' HD12 ' A' ' 66' ' ' LEU . 16.9 p -49.74 -46.02 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -53.17 -55.09 26.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 2.3 m120 -56.06 -37.67 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 12' ' ' VAL . 80.3 mt -64.87 -63.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.43 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 90.7 mtt180 -74.27 -52.7 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' A' ' 76' ' ' ILE . 17.1 mt -48.36 -63.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.661 ' HG ' HG22 ' A' ' 12' ' ' VAL . 55.9 mt -49.66 -24.68 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -69.74 -56.15 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' LYS . 27.8 m -90.17 18.04 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -45.57 -27.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -71.18 -45.76 62.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.3 mptt -61.86 -50.86 70.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.755 ' CD1' HG23 ' A' ' 69' ' ' ILE . 55.1 mt -39.78 116.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -129.1 128.22 43.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.944 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -97.96 150.53 21.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.5 m -122.48 134.14 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.91 HG11 ' CD2' ' A' ' 24' ' ' LEU . 78.3 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 8' ' ' LEU . 22.4 mt -42.37 -71.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.45 -47.54 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.4 mt-30 -54.27 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.666 HG22 ' HG ' ' A' ' 70' ' ' LEU . 39.9 t -56.1 -55.62 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.46 -38.69 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -79.62 -36.19 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD22 HD23 ' A' ' 70' ' ' LEU . 45.4 tp -54.48 -71.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -41.96 -35.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.71 ' HA ' HG23 ' A' ' 32' ' ' VAL . 86.8 m-20 -72.45 -59.92 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 -58.42 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -41.51 -49.31 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.711 ' CD1' HG22 ' A' ' 32' ' ' VAL . 3.2 t80 -39.31 -54.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.33 -33.34 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.84 -54.02 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 0.741 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.948 ' CD2' HG11 ' A' ' 80' ' ' VAL . 52.4 mt -78.75 -24.55 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.13 69.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.714 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -43.92 165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 tttp -105.42 -35.17 7.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.714 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.1 p90 -84.37 163.9 45.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 114.66 4.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -101.99 160.19 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -106.6 131.12 54.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 20' ' ' TYR . 77.6 t -71.25 134.31 85.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.96 72.48 4.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -54.87 -48.15 73.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.38 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.89 -30.17 61.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.418 HD12 HG12 ' A' ' 32' ' ' VAL . 21.5 mt -73.24 -27.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -46.79 21.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -42.69 73.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.11 113.39 34.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.75 7.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.74 48.5 4.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 p -108.37 -71.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.6 t -118.82 126.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.48 130.81 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.925 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 22.7 mt -114.34 129.83 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.45 165.15 28.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.65 -10.39 74.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.4 mt -49.1 163.72 0.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.951 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.06 169.93 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.7 56.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.951 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -119.8 99.35 49.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 175.47 11.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.52 85.6 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.93 178.66 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -65.86 150.4 96.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -15.69 20.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 60' ' ' THR . 18.0 p -66.43 -39.72 89.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.463 HG23 ' SG ' ' A' ' 59' ' ' CYS . 59.5 p -72.64 -8.17 53.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 69' ' ' ILE . 18.4 m-30 -102.82 162.77 12.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.29 166.4 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 p -42.95 -47.36 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -63.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -49.73 -55.32 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 HG21 ' A' ' 12' ' ' VAL . 57.7 mt -45.9 -62.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -36.7 -34.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.799 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 26.3 mtt85 -77.33 -52.8 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 61' ' ' PHE . 19.5 mt -44.18 -62.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.738 HD23 HD22 ' A' ' 15' ' ' LEU . 41.1 mt -52.61 -26.73 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.59 -54.74 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG21 ' CD ' ' A' ' 50' ' ' PRO . 29.8 m -88.06 15.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -43.79 -27.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -72.29 -49.28 35.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 mptt -60.77 -53.43 57.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 73' ' ' ALA . 19.2 mt -38.6 109.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -123.6 129.95 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.925 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.8 m-85 -98.92 151.17 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 32.6 m -121.84 126.62 49.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 24' ' ' LEU . 74.5 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' GLN . 45.5 mt -40.25 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.756 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -42.66 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -43.79 87.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -55.06 -51.32 66.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.515 HG22 ' CD2' ' A' ' 70' ' ' LEU . 58.3 t -67.08 -53.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -45.63 -25.06 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -94.68 -37.26 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.585 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 35.3 tp -50.71 -71.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -47.41 -37.79 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.759 ' HA ' HG23 ' A' ' 32' ' ' VAL . 59.3 m-20 -64.42 -58.04 7.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -55.82 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -41.63 -46.38 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.0 t80 -39.02 -55.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.71 -42.73 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.9 mt-10 -71.39 -54.52 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.87 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.785 HD21 HG21 ' A' ' 80' ' ' VAL . 48.8 mt -100.64 -29.22 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 105.35 -13.4 47.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.728 HD13 HG21 ' A' ' 30' ' ' VAL . 7.4 mt -48.32 164.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.3 -31.33 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.677 ' CE1' HG21 ' A' ' 26' ' ' ILE . 13.5 p90 -88.31 163.91 34.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 117.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.728 HG21 HD13 ' A' ' 26' ' ' ILE . 12.1 t -107.97 160.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -102.67 135.36 44.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.759 HG23 ' HA ' ' A' ' 17' ' ' ASN . 55.5 t -75.8 140.14 70.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.05 73.0 4.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -55.0 -53.11 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -47.59 -64.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -54.56 -32.93 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD12 HG12 ' A' ' 32' ' ' VAL . 11.9 mt -71.39 -22.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -82.78 -45.38 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -70.34 -43.22 70.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.25 113.35 33.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.4 14.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.1 47.76 3.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.89 -70.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 78' ' ' PHE . 21.5 t -120.97 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 4.2 mt -90.53 133.64 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.887 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 26.4 mt -118.32 129.13 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.4 mm-40 -142.97 162.34 35.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.32 -10.39 71.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.42 164.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.035 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 169.37 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.778 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.83 8.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.24 -6.98 58.23 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.035 HD12 ' HG2' ' A' ' 50' ' ' PRO . 22.9 mt -119.87 100.9 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.85 8.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.44 89.52 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -149.09 179.52 7.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -62.78 149.9 88.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -75.01 -12.67 21.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 60' ' ' THR . 14.7 p -70.04 -40.2 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 59' ' ' CYS . 75.2 p -71.55 -5.04 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 14.1 m-30 -104.9 163.29 12.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 163.48 13.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 66' ' ' LEU . 24.6 p -40.31 -55.31 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -49.53 -57.06 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.32 -40.6 62.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 63' ' ' SER . 60.7 mt -62.04 -62.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.93 -32.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.841 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 38.0 mtp85 -74.61 -56.85 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 76' ' ' ILE . 8.2 mt -44.76 -65.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 12' ' ' VAL . 49.0 mt -45.44 -28.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.12 -55.62 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' LYS . 24.4 m -90.88 19.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.85 -26.09 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -39.67 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 13.1 mmtt -62.45 -51.17 68.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 73' ' ' ALA . 27.4 mt -40.86 125.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.3 ttmt -133.91 114.41 13.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.887 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -86.39 152.69 22.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -130.29 123.21 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.785 HG21 HD21 ' A' ' 24' ' ' LEU . 17.6 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.3 mt -40.91 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.734 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -46.27 -32.99 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' GLY . 3.5 mm-40 -77.08 -33.23 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mt-30 -61.79 -53.34 57.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG11 ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -66.17 -52.92 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -45.34 -26.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.1 -42.75 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.614 HD11 ' HB1' ' A' ' 73' ' ' ALA . 30.0 tp -43.11 -71.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -43.96 -49.67 8.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.894 ' HA ' HG23 ' A' ' 32' ' ' VAL . 71.6 m-20 -55.54 -54.05 48.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -40.88 -42.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.824 ' CD1' HG22 ' A' ' 32' ' ' VAL . 3.1 t80 -42.94 -47.67 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -46.32 -28.11 3.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 60.7 mt-10 -79.45 -58.04 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.99 -26.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 80' ' ' VAL . 37.6 mt -101.67 -28.01 12.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.79 -15.07 61.26 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -43.83 165.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.3 mmtp -107.97 -33.64 7.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.6 p90 -84.81 163.99 44.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.567 1.825 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 26' ' ' ILE . 10.9 t -102.62 159.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -105.2 124.4 49.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.894 HG23 ' HA ' ' A' ' 17' ' ' ASN . 74.7 t -66.11 135.14 95.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.97 74.47 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.6 m-85 -55.76 -56.54 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -44.81 -61.33 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -57.18 -34.05 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.404 HD12 HG12 ' A' ' 32' ' ' VAL . 10.7 mt -71.95 -22.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -82.87 -44.16 15.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -41.21 66.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -120.27 113.49 33.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.51 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.08 50.16 3.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.95 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.546 HG21 ' HE1' ' A' ' 20' ' ' TYR . 18.2 t -127.26 121.35 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.743 HD12 ' HB ' ' A' ' 79' ' ' THR . 1.1 mp -88.0 135.91 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.889 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 24.0 mt -118.51 121.02 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -134.33 166.04 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.69 -11.14 72.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.16 163.89 0.33 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.978 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 169.32 22.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.474 1.776 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.2 8.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.66 -6.0 58.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.978 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.91 101.13 48.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.477 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -75.01 179.38 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -88.19 87.67 7.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.82 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.1 mtmt -49.56 136.79 17.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.541 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.462 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.5 t -56.42 -21.64 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.52 -11.5 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -103.44 168.62 9.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.81 153.41 29.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.612 ' HA ' HD12 ' A' ' 66' ' ' LEU . 67.6 p -45.71 -47.28 15.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 110.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -49.1 61.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.25 -39.98 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 63' ' ' SER . 49.1 mt -60.89 -60.8 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.86 -32.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.808 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 62.5 mtp180 -75.1 -55.91 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.65 HG23 ' CD1' ' A' ' 76' ' ' ILE . 15.4 mt -45.55 -63.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 12' ' ' VAL . 46.6 mt -48.93 -23.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -75.95 -50.42 15.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' LYS . 18.5 m -95.12 19.99 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.721 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.32 -23.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -75.06 -40.62 60.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.3 mptt -63.09 -52.12 63.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 73' ' ' ALA . 23.3 mt -40.16 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -126.69 116.33 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.889 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -87.06 151.09 23.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.743 ' HB ' HD12 ' A' ' 45' ' ' ILE . 82.0 m -122.65 133.2 54.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 24' ' ' LEU . 78.4 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.48 169.71 8.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.95 161.78 42.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.45 138.46 4.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -130.75 159.9 35.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -152.39 83.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.62 138.2 4.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.098 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 8' ' ' LEU . 19.6 mt -42.16 -72.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -38.8 -50.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -48.49 70.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.03 -52.42 58.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG22 ' CD2' ' A' ' 70' ' ' LEU . 59.7 t -66.43 -56.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -41.82 -28.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 12' ' ' VAL . 6.1 t0 -91.81 -41.88 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 38.4 tp -45.56 -71.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -45.51 -29.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.627 ' HA ' HG23 ' A' ' 32' ' ' VAL . 1.6 m-20 -74.28 -64.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -53.62 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -45.77 -48.11 15.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.705 ' CD1' HG22 ' A' ' 32' ' ' VAL . 9.2 t80 -38.72 -56.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -41.78 -38.68 2.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.6 -53.25 14.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.799 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.6 -37.48 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.81 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.7 mt -88.99 -31.56 18.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.05 -16.47 27.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.69 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.4 mt -46.24 165.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -107.95 -31.97 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 26' ' ' ILE . 14.2 p90 -87.27 164.04 37.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.55 4.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.689 HG21 HD13 ' A' ' 26' ' ' ILE . 11.4 t -105.81 159.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -91.26 149.11 21.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.705 HG22 ' CD1' ' A' ' 20' ' ' TYR . 53.4 t -94.17 135.22 24.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.91 73.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 22.1 m-30 -56.32 -52.73 63.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -47.17 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -54.98 -33.41 62.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.5 mt -70.54 -26.76 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 1.4 mmmt -83.25 -55.9 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -44.78 94.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -120.17 113.49 34.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.356 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -21.26 16.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.98 45.57 3.49 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.8 m -105.24 -70.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 0.789 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' THR . 21.1 t -125.21 124.37 67.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt -89.88 134.19 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -118.05 123.49 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -136.39 164.85 27.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.29 -10.32 73.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.7 164.26 0.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.257 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.981 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 169.53 22.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 122.64 7.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.74 -6.32 57.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.981 HD12 ' HG2' ' A' ' 50' ' ' PRO . 16.3 mt -119.99 99.77 48.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.548 1.815 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.47 86.81 5.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -146.38 -179.91 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -66.27 149.53 97.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.55 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.06 -15.0 20.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.7 m -61.81 -36.53 81.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -80.44 -5.74 57.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.8 m-30 -103.64 142.26 34.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.96 166.82 35.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.422 ' HA ' HD12 ' A' ' 66' ' ' LEU . 6.2 p -46.23 -39.25 9.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -59.89 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.76 -45.42 63.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 12' ' ' VAL . 55.3 mt -55.83 -61.33 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.13 -32.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.818 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 56.6 mtt-85 -77.99 -54.97 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 76' ' ' ILE . 13.2 mt -44.48 -64.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' HG22 ' A' ' 12' ' ' VAL . 47.0 mt -48.04 -27.9 2.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.97 -55.78 9.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.458 HG21 ' CD ' ' A' ' 50' ' ' PRO . 27.4 m -89.55 18.39 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.07 -28.2 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -41.08 56.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mmtt -61.84 -50.59 71.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.2 mt -41.09 121.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -130.19 120.25 24.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -91.98 152.18 20.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 88.3 m -126.52 126.71 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 24' ' ' LEU . 42.4 t -115.34 102.05 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 p -46.63 -52.76 12.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.394 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 18.2 mtm105 -42.0 158.11 0.21 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.74 9.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.56 177.54 7.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -112.64 -52.24 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.65 92.34 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.93 122.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.707 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.7 mp -48.57 142.2 8.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.2 Cg_endo -75.05 163.8 34.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -136.94 85.67 22.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.49 6.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.91 152.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' O ' ' CB ' ' A' ' 94' ' ' SER . 2.9 pt-20 -112.51 -37.02 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER 77.93 -175.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 139.71 -166.07 25.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 150.83 38.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.758 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.1 t -116.91 139.5 50.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.3 m -80.75 -58.75 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 63.64 124.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.953 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.69 136.71 9.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.41 144.74 7.85 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -166.66 170.03 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 p -143.22 119.05 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.86 124.52 3.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 29.5 mt -42.56 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.73 -41.93 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.44 -44.85 93.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.6 mt-30 -54.24 -63.21 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.681 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.5 t -55.85 -46.96 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -36.44 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -82.3 -38.35 24.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.526 HD22 HD23 ' A' ' 70' ' ' LEU . 52.2 tp -51.39 -71.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -42.42 -40.67 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.628 ' HA ' HG23 ' A' ' 32' ' ' VAL . 56.1 m-20 -66.15 -56.03 13.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -52.7 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -43.41 -40.39 3.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.588 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.1 t80 -50.48 -50.17 53.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.1 -45.44 14.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -67.55 -55.79 12.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.44 -43.93 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.945 ' CD2' HG11 ' A' ' 80' ' ' VAL . 51.2 mt -82.63 -27.46 31.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.07 -15.19 55.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.739 HD13 HG21 ' A' ' 30' ' ' VAL . 7.1 mt -44.49 165.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -106.41 -31.86 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.693 ' CE1' HG21 ' A' ' 26' ' ' ILE . 12.9 p90 -88.22 164.46 33.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.48 4.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.739 HG21 HD13 ' A' ' 26' ' ' ILE . 12.1 t -109.03 160.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -99.1 152.21 20.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 17' ' ' ASN . 57.6 t -97.4 138.6 21.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.5 Cg_endo -75.01 75.03 3.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -55.69 -53.37 57.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -65.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -53.5 -33.79 55.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 32' ' ' VAL . 12.5 mt -70.21 -24.31 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -78.86 -47.67 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.55 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -120.27 113.53 33.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.68 10.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.67 51.69 4.61 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.85 -61.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 t -129.15 120.48 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.5 132.99 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.858 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 25.1 mt -118.43 124.35 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -136.85 162.9 31.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.64 -10.46 70.76 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.5 mt -48.7 164.7 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.008 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 169.6 22.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.456 1.766 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.48 7.25 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.54 1.811 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.72 -6.5 57.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.008 HD12 ' HG2' ' A' ' 50' ' ' PRO . 19.8 mt -119.99 100.01 48.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.91 10.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.53 88.23 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -147.53 179.59 7.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.34 147.23 98.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.24 19.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' HG23 ' A' ' 60' ' ' THR . 14.1 p -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.422 HG23 ' SG ' ' A' ' 59' ' ' CYS . 17.7 p -75.12 -2.86 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -109.77 164.32 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.36 166.16 14.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p -42.01 -51.92 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -65.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 29.3 m-80 -46.79 -54.76 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 12' ' ' VAL . 56.8 mt -46.97 -61.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -38.0 -33.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.831 ' HD3' HD11 ' A' ' 53' ' ' ILE . 45.5 mtp85 -76.6 -52.73 9.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.581 HG23 HD11 ' A' ' 76' ' ' ILE . 20.6 mt -45.65 -63.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.681 ' HG ' HG22 ' A' ' 12' ' ' VAL . 48.8 mt -51.28 -25.59 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.822 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -69.18 -54.19 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 25.0 m -91.23 20.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.619 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.92 -28.56 1.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.84 -42.12 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 mmtt -62.01 -50.68 71.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 73' ' ' ALA . 38.5 mt -42.45 123.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 30.7 tttt -134.18 120.2 19.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.858 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -92.35 150.55 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.3 m -124.05 127.45 47.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.945 HG11 ' CD2' ' A' ' 24' ' ' LEU . 55.4 t -119.28 100.47 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' ARG . 77.2 p -41.49 -51.91 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' THR . 0.4 OUTLIER -38.9 157.14 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 102.35 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -100.24 175.98 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 64.41 147.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.17 -95.18 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.8 171.59 2.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.764 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.7 mp -127.51 141.03 39.67 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.2 Cg_endo -75.04 177.39 8.66 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.551 1.816 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -140.83 88.15 10.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.84 36.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.1 102.08 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -171.76 157.27 4.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.59 139.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.97 83.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.4 39.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.3 m -149.85 160.02 43.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 p -175.66 -58.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -84.94 140.87 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -154.02 142.55 20.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.72 96.77 2.28 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -157.11 138.31 13.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -167.95 113.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.3 121.36 4.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 8' ' ' LEU . 26.9 mt -42.84 -70.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -43.95 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -43.73 93.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 31.3 mt-30 -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.69 HG22 ' HG ' ' A' ' 70' ' ' LEU . 16.4 t -57.59 -47.16 85.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -51.09 -27.64 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -93.21 -34.41 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD11 ' HB1' ' A' ' 73' ' ' ALA . 49.8 tp -51.95 -71.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.526 ' HE1' HD13 ' A' ' 76' ' ' ILE . 21.0 m-85 -51.3 -44.58 61.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.784 ' HA ' HG23 ' A' ' 32' ' ' VAL . 18.3 m-20 -56.19 -55.07 37.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -57.07 14.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -39.93 -39.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.706 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.9 t80 -45.2 -53.23 8.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -43.45 -35.21 2.73 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -75.03 -53.45 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.57 -25.96 3.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 20' ' ' TYR . 49.7 mt -100.54 -26.21 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.4 60.05 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.565 1.165 . . . . 0.0 111.024 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.686 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -45.93 165.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.69 -32.94 7.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.686 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.9 p90 -85.97 164.13 40.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.32 6.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -113.12 159.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -104.28 128.45 52.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.784 HG23 ' HA ' ' A' ' 17' ' ' ASN . 69.6 t -67.87 139.98 93.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.594 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.99 70.28 5.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -53.74 -39.77 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -57.55 -66.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -54.62 -34.21 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 32' ' ' VAL . 13.0 mt -69.19 -30.05 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -74.97 -51.99 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -66.08 -40.88 91.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -120.23 113.4 33.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.46 12.78 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.48 45.74 3.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -102.28 -74.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 13.1 t -120.57 128.09 75.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.04 131.9 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.909 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 24.7 mt -116.62 122.26 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -135.76 164.44 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.81 -10.45 73.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.3 164.55 0.31 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.981 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.98 168.83 23.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.59 7.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.31 -5.96 57.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.981 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.3 mt -119.89 101.9 47.34 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 179.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -87.1 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.62 6.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -51.05 141.24 19.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -52.23 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 p -53.79 -26.57 24.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -9.55 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -109.3 157.73 18.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.34 156.41 49.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.591 ' HA ' HD12 ' A' ' 66' ' ' LEU . 21.8 p -44.83 -47.75 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -53.89 32.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.14 -37.47 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 63' ' ' SER . 61.8 mt -64.21 -62.85 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.83 -31.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.85 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 39.4 mtp85 -74.58 -55.98 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.679 HG23 HD11 ' A' ' 76' ' ' ILE . 8.6 mt -46.16 -65.9 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.69 ' HG ' HG22 ' A' ' 12' ' ' VAL . 57.5 mt -45.84 -28.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.32 -56.14 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -90.83 19.85 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.78 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -47.33 -28.83 2.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -40.77 65.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.9 mmtt -62.5 -49.57 74.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 73' ' ' ALA . 33.5 mt -43.43 124.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -132.81 117.83 18.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.909 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.8 m-85 -90.16 151.03 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.2 m -130.7 123.97 30.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 24' ' ' LEU . 49.0 t -107.43 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.5 p -47.8 -47.85 30.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.08 162.52 0.49 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.78 13.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.811 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -160.78 174.09 14.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -136.42 -59.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.61 165.1 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.155 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.32 136.73 33.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 89' ' ' PRO . 11.2 mt 62.32 142.81 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.4 Cg_endo -75.0 175.81 10.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.22 95.36 3.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -49.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.59 164.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -92.8 176.15 6.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.84 139.46 44.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.35 132.84 1.58 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.74 5.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.431 1.753 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.1 p -107.84 90.79 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.7 p -172.61 160.13 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 63.19 122.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 t -148.04 121.61 9.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.42 103.71 0.21 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -93.74 150.67 20.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 0.726 . . . . 0.0 110.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -149.07 156.77 42.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.74 113.99 3.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 63' ' ' SER . 37.8 mt -44.17 -70.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 1.8 ttm105 -38.68 -47.85 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -47.78 82.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' LEU . 10.7 mt-30 -53.05 -59.83 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.663 HG22 ' HG ' ' A' ' 70' ' ' LEU . 17.9 t -60.06 -47.64 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -50.65 -24.84 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.06 -38.76 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 70' ' ' LEU . 57.4 tp -48.74 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -41.92 -43.31 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.81 ' HA ' HG23 ' A' ' 32' ' ' VAL . 76.3 m-20 -63.66 -57.22 10.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.1 -58.43 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -41.14 -50.24 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.819 ' HE1' HG21 ' A' ' 44' ' ' VAL . 6.4 t80 -39.76 -53.8 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -42.01 -36.74 1.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' GLY . 31.4 mt-10 -72.13 -55.63 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.239 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -45.31 -31.1 1.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.63 HD11 ' CE2' ' A' ' 20' ' ' TYR . 47.2 mt -96.58 -27.94 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.63 -12.04 62.92 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.709 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -44.07 165.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 4.0 mmtt -106.83 -34.98 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.9 p90 -83.67 163.81 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -99.28 159.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -106.51 135.18 48.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.81 HG23 ' HA ' ' A' ' 17' ' ' ASN . 54.2 t -77.73 129.33 76.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.92 75.49 3.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 21.0 m-30 -55.33 -35.83 65.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -61.91 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -58.26 -29.94 66.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.9 mt -74.81 -24.31 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -79.61 -56.56 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -42.65 93.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.25 113.58 33.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.18 16.13 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.64 51.25 3.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -109.93 -74.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.819 HG21 ' HE1' ' A' ' 20' ' ' TYR . 22.7 t -121.1 126.68 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.49 132.56 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.857 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 29.5 mt -114.55 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -134.33 166.29 23.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.3 -10.23 75.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.84 164.39 0.36 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.973 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.77 6.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.784 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.51 -5.38 57.05 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.973 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.9 mt -119.25 99.97 50.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.03 9.11 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -84.88 91.23 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -150.49 179.75 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 148.06 98.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -10.94 21.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.7 -39.9 80.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.2 p -73.66 -3.17 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -111.74 168.91 9.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -113.75 167.92 12.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 52.8 p -38.05 -60.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 109.954 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -43.19 -63.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.901 HD21 HG23 ' A' ' 53' ' ' ILE . 5.4 t-20 -49.2 -41.92 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 12' ' ' VAL . 66.4 mt -62.72 -64.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.06 -32.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.846 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 81.1 mtt180 -75.21 -52.68 10.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.632 HG23 ' CD1' ' A' ' 76' ' ' ILE . 24.2 mt -48.38 -61.27 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.663 ' HG ' HG22 ' A' ' 12' ' ' VAL . 50.9 mt -52.29 -25.98 10.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.846 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.22 -54.87 22.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.472 HG21 ' CD ' ' A' ' 50' ' ' PRO . 26.8 m -90.99 19.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -44.96 -28.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -73.97 -45.92 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.2 mmtt -61.0 -52.63 64.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.632 ' CD1' HG23 ' A' ' 69' ' ' ILE . 61.3 mt -39.54 120.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -131.03 127.63 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.857 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -96.77 150.54 20.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.7 m -122.87 134.95 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 24' ' ' LEU . 81.8 t -120.24 147.16 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 39.9 p -105.27 -47.04 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.37 164.42 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.24 25.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 8.4 p90 -170.39 170.16 7.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -170.15 162.67 8.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.17 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.563 ' O ' HD22 ' A' ' 87' ' ' LEU . . . 102.58 95.3 2.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 86' ' ' GLY . 4.5 mm? -126.61 80.89 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.665 HG23 ' HD2' ' A' ' 89' ' ' PRO . 30.4 mm -65.43 141.78 98.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.4 Cg_endo -75.01 168.84 23.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -169.11 76.21 0.73 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.218 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.3 4.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -163.13 142.92 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -152.1 158.09 42.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.56 141.96 48.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.68 93.86 0.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.117 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.25 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.0 m 72.98 -62.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.034 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.5 t -171.41 -58.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m -145.61 130.07 17.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 t -113.29 134.19 54.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.06 -67.27 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.82 114.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.027 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.17 123.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.39 107.08 2.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.4 mt -42.72 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.88 -45.52 1.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.37 -46.73 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.9 mt-30 -52.9 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.8 t -54.95 -48.74 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -28.06 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -40.61 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.716 HD11 ' HB1' ' A' ' 73' ' ' ALA . 51.5 tp -46.27 -71.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' HE1' HD13 ' A' ' 76' ' ' ILE . 20.5 m-85 -49.36 -42.15 41.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -59.85 -39.31 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -59.09 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -44.96 -40.25 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.753 ' CG ' HG22 ' A' ' 32' ' ' VAL . 31.4 t80 -52.95 -55.98 19.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.57 -39.61 10.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -63.28 -49.63 73.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.11 -23.1 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.915 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.6 mt -100.88 -24.75 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 100.07 -15.26 59.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.695 HG21 ' CE1' ' A' ' 28' ' ' TYR . 11.2 mt -48.71 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 0.79 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 6.6 mmtp -111.28 -32.77 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.695 ' CE1' HG21 ' A' ' 26' ' ' ILE . 19.0 p90 -83.82 163.6 48.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.69 3.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.629 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.7 t -96.75 159.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -102.71 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.753 HG22 ' CG ' ' A' ' 20' ' ' TYR . 77.6 t -58.72 133.51 86.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.04 74.21 4.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -54.09 -43.48 70.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -50.94 -38.51 50.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.81 -27.59 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.59 -53.72 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -42.48 92.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -120.16 113.71 33.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.04 18.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.85 49.73 3.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.5 t -110.99 -74.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.589 ' C ' HD13 ' A' ' 45' ' ' ILE . 9.7 t -122.32 116.2 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.79 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -87.65 127.65 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.868 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.3 mt -111.45 118.74 58.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -133.75 163.94 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.67 -10.51 72.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.6 mt -49.48 164.56 0.32 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 123.0 7.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.56 -6.55 57.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -119.85 100.17 48.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 177.8 8.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.05 89.94 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -150.67 179.69 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -67.13 147.41 99.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -74.97 -10.85 21.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -68.83 -19.65 64.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 108.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 p -95.58 -7.42 37.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.2 m-30 -105.18 148.21 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.03 164.9 34.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 66' ' ' LEU . 35.8 p -41.79 -47.25 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -59.66 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -51.42 -38.81 55.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.489 HD22 HG21 ' A' ' 12' ' ' VAL . 70.8 mt -63.92 -63.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -37.67 -32.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 52.1 mtp180 -73.76 -57.3 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.649 HG23 HD11 ' A' ' 76' ' ' ILE . 5.1 mt -43.58 -63.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 12' ' ' VAL . 51.1 mt -49.52 -29.94 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -64.73 -54.53 30.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.409 HG21 ' CD ' ' A' ' 50' ' ' PRO . 29.4 m -91.83 21.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -47.97 -27.8 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -43.11 59.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.6 mmtt -60.84 -50.76 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 73' ' ' ALA . 47.8 mt -42.13 122.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -131.55 128.87 40.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.868 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -99.63 151.73 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -121.61 132.2 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.915 HG11 ' CD2' ' A' ' 24' ' ' LEU . 72.9 t -124.01 126.21 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.2 p -88.1 -55.13 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.421 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 63.67 162.73 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 71.85 4.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 52.61 92.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 117.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.611 ' N ' HD13 ' A' ' 87' ' ' LEU . . . -134.88 62.94 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.75 138.58 42.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.4 mp -139.13 141.45 29.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.5 Cg_endo -75.01 141.96 27.22 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 tttt 40.78 83.49 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.52 5.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -168.04 138.52 2.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.14 163.48 39.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.09 142.94 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.06 -177.04 31.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.36 25.01 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.808 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.2 p -150.77 107.99 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -142.66 166.82 23.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -141.69 -58.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -59.04 5.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.22 -141.83 16.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.74 142.59 35.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.734 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.9 126.93 5.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . -61.04 155.99 34.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.2 mt -41.36 -70.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 1.9 ttm105 -42.93 -41.3 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 -39.28 85.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.3 mt-30 -58.99 -62.0 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG22 ' HG ' ' A' ' 70' ' ' LEU . 11.4 t -57.41 -45.43 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -52.35 -26.01 11.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.91 -39.04 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.614 HD22 HD23 ' A' ' 70' ' ' LEU . 52.5 tp -48.23 -71.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -42.97 -48.39 5.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.563 ' HA ' HG23 ' A' ' 32' ' ' VAL . 58.0 m-20 -57.14 -54.38 47.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -50.4 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -47.6 -46.5 28.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.66 ' CG ' HG22 ' A' ' 32' ' ' VAL . 4.1 t80 -45.83 -57.22 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.78 -36.22 1.06 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -75.84 -52.19 10.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.34 -22.77 3.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.84 ' CD2' HG11 ' A' ' 80' ' ' VAL . 43.9 mt -103.12 -28.35 12.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.09 -12.63 57.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.135 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.687 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.8 mt -48.9 165.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.5 mttt -109.49 -32.95 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.687 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.4 p90 -84.71 164.2 43.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.95 5.44 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.54 HG21 HD13 ' A' ' 26' ' ' ILE . 10.5 t -107.6 158.37 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -103.97 121.48 43.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.66 HG22 ' CG ' ' A' ' 20' ' ' TYR . 53.3 t -69.85 139.17 88.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.02 72.3 4.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.812 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -54.02 -55.68 25.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -64.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -33.77 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 HG12 ' A' ' 32' ' ' VAL . 12.7 mt -70.28 -25.18 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -79.83 -37.52 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -41.26 29.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -120.23 113.47 33.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.58 20.64 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.534 1.808 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.37 48.54 2.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -65.1 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 0.722 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 78' ' ' PHE . 17.5 t -129.74 117.81 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 5.6 mt -88.12 132.12 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.899 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.6 mt -116.61 123.86 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -137.0 162.73 32.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.36 71.07 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.43 165.04 0.3 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.95 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 169.01 23.56 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.47 7.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.48 -5.22 57.03 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.95 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -119.69 101.02 48.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 179.91 5.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -89.06 88.69 7.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -148.09 179.76 7.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 2.6 mttt -50.3 134.46 24.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -74.96 -47.6 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.519 1.799 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.0 p -58.86 -21.98 58.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -74.55 -10.77 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.16 175.62 5.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.1 163.09 26.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.514 1.134 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 p -45.44 -57.17 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.66 -58.41 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.899 HD21 HG23 ' A' ' 53' ' ' ILE . 4.3 t-20 -50.66 -41.37 55.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' O ' ' A' ' 58' ' ' PRO . 73.7 mt -63.59 -64.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.94 -32.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.855 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 62.0 mtp85 -74.23 -52.42 12.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.719 HG23 HD11 ' A' ' 76' ' ' ILE . 20.0 mt -47.29 -63.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HG ' HG22 ' A' ' 12' ' ' VAL . 47.2 mt -51.03 -28.01 9.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -62.51 -52.56 62.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.478 HG21 ' CD ' ' A' ' 50' ' ' PRO . 24.6 m -94.7 20.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -43.74 -28.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -71.99 -49.08 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.3 mmtt -56.02 -52.12 65.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.719 HD11 HG23 ' A' ' 69' ' ' ILE . 38.0 mt -40.22 124.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -136.04 123.38 21.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.899 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -94.07 151.9 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 41.3 m -125.28 137.85 54.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.84 HG11 ' CD2' ' A' ' 24' ' ' LEU . 43.6 t -130.72 100.32 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.7 p -45.02 -53.74 7.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.74 162.57 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.92 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.57 161.38 29.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -94.88 147.37 23.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.08 127.1 1.06 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.45 125.2 46.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.9 mp -78.13 141.41 62.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.4 Cg_endo -75.01 -175.95 2.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -130.19 81.54 68.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 118.7 5.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.443 1.76 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 54.33 97.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.88 117.49 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.63 120.06 6.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -155.46 -147.58 4.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.78 40.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.65 148.24 29.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.03 136.02 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -67.59 155.78 38.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -57.43 -57.24 13.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.67 -102.62 2.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.33 160.5 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -173.67 165.6 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.46 156.5 26.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.9 mt -40.55 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.51 -39.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -43.79 80.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' LEU . 15.8 mt-30 -54.19 -60.24 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' HG ' ' A' ' 70' ' ' LEU . 29.9 t -58.79 -53.13 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -44.66 -25.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 -43.58 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.679 HD22 HD23 ' A' ' 70' ' ' LEU . 54.2 tp -42.77 -71.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -49.3 -34.7 16.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.565 ' HA ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -65.1 -52.82 53.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -56.45 18.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -40.71 -34.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.603 ' CE2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -55.97 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.01 -33.24 0.43 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -76.44 -51.3 12.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -23.52 13.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.842 ' CD2' HG11 ' A' ' 80' ' ' VAL . 47.1 mt -102.45 -25.46 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 102.93 -20.48 43.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.683 HD13 HG21 ' A' ' 30' ' ' VAL . 8.6 mt -45.03 164.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -109.1 -31.58 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.67 ' CE1' HG21 ' A' ' 26' ' ' ILE . 13.3 p90 -87.61 164.16 35.87 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.683 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -110.26 159.56 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -84.82 156.27 21.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 17' ' ' ASN . 54.4 t -112.15 133.38 21.71 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 71.43 5.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' LYS . 38.7 m-85 -55.53 -52.94 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LYS . 2.9 tmtt? -48.57 -67.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -52.39 -33.43 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.84 -22.86 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -80.58 -37.73 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -79.57 -44.21 21.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -120.28 113.48 33.84 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.86 14.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.56 -24.97 71.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.78 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG21 ' HE1' ' A' ' 20' ' ' TYR . 9.6 t -127.44 119.88 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -87.92 127.69 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.919 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.6 mt -113.69 123.14 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -137.23 164.37 28.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.26 -10.34 73.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.74 164.82 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.006 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.02 23.52 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 123.57 7.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.42 -6.61 57.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.587 1.179 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.006 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.8 mt -120.01 101.36 47.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.05 7.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.44 91.16 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -151.17 178.4 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -63.69 149.86 91.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.03 -17.62 19.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.0 t -62.05 -26.79 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.0 p -90.65 -0.18 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.0 m-30 -111.73 132.45 54.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.19 164.0 54.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.4 p -43.52 -39.72 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.96 13.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -54.29 -38.86 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.528 HD22 HG21 ' A' ' 12' ' ' VAL . 76.2 mt -63.31 -64.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -38.55 -32.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.982 ' HD3' HD11 ' A' ' 53' ' ' ILE . 1.2 mtt-85 -73.47 -50.57 20.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.672 HG23 HD11 ' A' ' 76' ' ' ILE . 11.2 mt -50.82 -65.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.679 HD23 HD22 ' A' ' 15' ' ' LEU . 51.4 mt -46.43 -25.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.02 -56.68 9.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 21.9 m -91.51 19.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.651 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -45.26 -28.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -72.86 -45.82 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.0 mmtt -57.74 -51.03 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.672 HD11 HG23 ' A' ' 69' ' ' ILE . 37.3 mt -40.22 126.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.5 tttt -135.11 121.07 19.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.919 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -94.15 150.63 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.048 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -126.67 123.04 36.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.842 HG11 ' CD2' ' A' ' 24' ' ' LEU . 73.8 t -112.89 100.32 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.7 p -45.63 -54.56 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.57 150.83 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 132.22 15.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.8 92.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.38 139.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.66 59.33 0.69 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -142.19 110.45 6.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 89' ' ' PRO . 20.5 mm -109.68 142.52 25.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.0 Cg_endo -75.06 175.9 10.64 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 120.74 56.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.8 24.76 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.33 114.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.84 130.54 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 t -86.3 131.57 34.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.4 124.84 36.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.99 13.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -60.97 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.9 t -99.49 136.47 39.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -160.07 135.05 7.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.95 157.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.44 -71.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -39.41 136.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.2 p -143.24 139.55 30.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 136.22 81.59 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.4 mt -39.99 -66.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 2.0 ttp-105 -41.88 -43.95 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.261 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.59 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 35.4 mt-30 -56.18 -58.37 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.623 HG22 ' HG ' ' A' ' 70' ' ' LEU . 20.2 t -60.82 -50.45 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -25.51 1.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -93.41 -37.76 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.743 HD22 HD23 ' A' ' 70' ' ' LEU . 28.7 tp -50.65 -71.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -46.51 -34.07 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.573 ' HA ' HG23 ' A' ' 32' ' ' VAL . 3.2 m-20 -68.63 -58.64 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -53.19 -54.85 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -42.59 -42.62 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.623 ' CE2' HD11 ' A' ' 24' ' ' LEU . 5.8 t80 -46.48 -55.16 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -40.13 -38.72 1.35 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -71.26 -52.73 17.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.25 -31.12 5.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.814 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.2 mt -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.06 -18.91 44.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.692 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.5 mt -46.89 165.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 3.2 mmtp -107.99 -33.7 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.692 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.3 p90 -84.73 164.17 43.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.21 6.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 HD13 ' A' ' 26' ' ' ILE . 10.0 t -112.04 159.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.17 157.18 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 17' ' ' ASN . 59.9 t -109.2 135.94 20.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.05 75.65 3.65 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CG ' ' HD2' ' A' ' 57' ' ' LYS . 5.6 m-30 -57.11 -60.6 3.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -42.53 -65.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -52.05 -35.94 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.5 mt -71.2 -22.54 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -81.73 -46.25 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -45.04 50.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -120.23 113.37 33.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.05 15.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.59 -24.92 73.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -41.06 -68.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 0.784 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG21 ' HE1' ' A' ' 20' ' ' TYR . 8.7 t -133.05 121.55 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mt -90.65 132.04 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.847 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 26.5 mt -116.26 125.85 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.2 mm-40 -138.68 164.0 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.19 -10.62 73.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -48.54 164.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.007 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 169.44 22.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 122.88 7.49 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.65 -6.71 57.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.007 HD12 ' HG2' ' A' ' 50' ' ' PRO . 21.9 mt -119.99 100.4 48.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.49 9.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.529 1.805 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.6 92.12 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -152.07 177.91 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HD2' ' CG ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -63.93 150.98 90.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -75.0 -20.37 16.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.803 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.5 -42.35 96.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 108.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.8 p -69.62 -10.67 59.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.1 m-30 -101.05 147.09 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.1 166.42 33.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . 4.1 p -42.82 -44.26 4.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -59.58 -57.04 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 14.4 m-20 -52.67 -37.68 59.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 HG21 ' A' ' 12' ' ' VAL . 63.6 mt -63.49 -65.04 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.33 -32.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.956 ' HD3' HD11 ' A' ' 53' ' ' ILE . 9.2 mtp180 -73.48 -53.77 9.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.657 HG23 HD11 ' A' ' 76' ' ' ILE . 5.4 mt -49.3 -66.35 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.743 HD23 HD22 ' A' ' 15' ' ' LEU . 50.9 mt -45.1 -27.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -66.83 -54.95 17.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LYS . 28.0 m -93.87 18.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.785 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -44.39 -28.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -72.68 -47.42 47.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' VAL . 6.9 mmtt -55.4 -50.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 73' ' ' ALA . 36.2 mt -40.92 124.28 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 6.8 ttmt -133.91 122.2 22.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.847 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -93.92 150.38 20.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -126.56 116.88 21.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.353 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.814 HG11 ' CD2' ' A' ' 24' ' ' LEU . 50.9 t -104.63 111.75 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 p -67.86 -46.81 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.34 163.98 0.22 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.83 28.32 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -80.21 -53.06 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 44.15 90.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.92 -152.09 8.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 172.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.626 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.1 mp -68.24 141.27 93.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.97 -170.9 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.446 1.761 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 56.96 82.84 0.23 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 163.77 34.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -131.88 109.66 10.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.34 108.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.47 155.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.02 -178.67 49.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 56.41 4.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -65.92 160.29 23.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.7 m 48.38 81.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.44 1.087 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 p -46.6 156.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 109.951 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.15 166.53 10.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.8 -167.62 23.45 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.09 116.23 8.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 p -136.9 133.51 35.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 87.22 112.16 0.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . 36.8 mt -39.88 -68.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -42.2 -42.28 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -39.69 86.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.583 ' NE2' HD13 ' A' ' 70' ' ' LEU . 33.6 mt-30 -53.36 -57.54 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 70' ' ' LEU . 60.2 t -64.31 -54.91 25.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -28.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -90.31 -39.55 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 30.0 tp -48.39 -71.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -45.03 -35.13 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.676 ' HA ' HG23 ' A' ' 32' ' ' VAL . 8.5 m-20 -68.89 -61.72 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -56.05 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -41.61 -44.53 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.67 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.6 t80 -44.18 -53.88 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -38.57 -32.57 0.16 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.43 -53.2 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -30.61 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 20' ' ' TYR . 63.2 mt -97.4 -25.47 15.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 96.47 -12.05 66.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.69 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.8 mt -47.52 165.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmtp -107.52 -32.68 7.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.3 p90 -86.53 164.05 39.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.31 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -103.39 161.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -105.85 125.25 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.676 HG23 ' HA ' ' A' ' 17' ' ' ASN . 74.5 t -65.34 138.1 96.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.517 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -75.03 70.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 32' ' ' VAL . 30.6 m-85 -53.99 -45.05 71.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -64.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -53.43 -36.04 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.433 HD11 ' HB ' ' A' ' 44' ' ' VAL . 17.9 mt -68.52 -27.35 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -58.22 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -41.34 86.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -120.18 113.4 34.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -16.5 20.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.39 45.28 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.69 -80.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.028 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 ' HE1' ' A' ' 20' ' ' TYR . 19.9 t -113.73 124.97 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 3.6 mt -91.61 133.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.905 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 25.0 mt -117.05 127.26 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -140.24 164.56 29.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.59 -10.44 74.08 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.05 164.53 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.991 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 169.05 23.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.88 7.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.62 -5.76 57.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.991 HD12 ' HG2' ' A' ' 50' ' ' PRO . 22.8 mt -119.87 101.54 47.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.75 8.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -83.86 87.58 7.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.72 179.87 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -64.65 147.08 98.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.04 -13.19 21.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.67 -36.2 82.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -78.64 -1.76 35.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.4 m-30 -109.65 154.54 22.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -100.54 162.66 18.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.423 ' HA ' HD12 ' A' ' 66' ' ' LEU . 35.8 p -39.19 -43.38 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -56.95 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -58.66 -37.85 76.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' ARG . 54.6 mt -64.42 -63.5 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.38 -33.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.846 ' HD3' HD11 ' A' ' 53' ' ' ILE . 13.0 mtp85 -73.74 -53.82 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.636 HG23 HD11 ' A' ' 76' ' ' ILE . 4.4 mt -48.64 -59.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD13 ' NE2' ' A' ' 11' ' ' GLN . 56.4 mt -50.17 -23.62 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -72.19 -56.94 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.4 m -91.19 21.32 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.718 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.88 -26.3 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -41.42 44.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -61.33 -50.31 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 73' ' ' ALA . 31.8 mt -40.96 123.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -131.8 123.22 27.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.905 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -95.25 151.93 18.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.9 m -125.52 132.9 52.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.651 HG11 ' CD2' ' A' ' 24' ' ' LEU . 69.3 t -118.33 102.41 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.9 p -45.75 -47.0 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.3 mtt85 -45.75 156.72 0.42 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.25 6.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 55.2 96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -134.05 178.43 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.26 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -54.16 162.95 3.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 87' ' ' LEU . 1.3 mm? -114.79 129.68 56.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.766 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 89' ' ' PRO . 18.5 mm 62.39 141.49 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.1 Cg_endo -75.02 147.37 33.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.821 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? 44.81 91.15 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -36.91 2.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -155.21 136.25 13.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.46 125.33 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -108.69 164.66 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.58 111.3 3.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.47 4.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 t -160.22 169.54 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.41 162.37 22.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.075 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.67 106.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -59.05 159.26 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.45 -105.06 0.95 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m 61.72 128.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 0.0 110.016 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -109.51 88.95 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.99 110.31 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.0 mt -40.76 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.71 -44.66 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -42.69 95.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.581 1.176 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.9 mt-30 -55.86 -60.85 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.646 HG22 ' HG ' ' A' ' 70' ' ' LEU . 20.4 t -56.57 -50.87 71.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.66 -29.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.15 -43.73 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 ' HB1' ' A' ' 73' ' ' ALA . 47.8 tp -46.4 -71.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -40.37 -43.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.623 ' HA ' HG23 ' A' ' 32' ' ' VAL . 4.0 m-20 -63.75 -61.97 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -48.9 -52.35 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -46.08 -47.15 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.725 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.6 t80 -42.51 -56.14 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.9 -42.72 1.58 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLY . 38.9 mt-10 -68.54 -54.23 18.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.734 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.64 -26.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.577 ' CD2' HG11 ' A' ' 80' ' ' VAL . 42.2 mt -100.61 -27.98 13.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.34 -16.56 52.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.683 HG21 ' CE1' ' A' ' 28' ' ' TYR . 6.9 mt -45.43 165.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 mttt -105.28 -31.8 8.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.683 ' CE1' HG21 ' A' ' 26' ' ' ILE . 12.1 p90 -89.62 164.18 30.26 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 125.63 9.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG21 HD13 ' A' ' 26' ' ' ILE . 7.4 t -115.66 158.08 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -89.27 155.4 19.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 20' ' ' TYR . 67.1 t -100.15 138.21 20.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.526 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.02 74.09 4.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.57 -50.81 67.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.7 mttt -51.19 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -52.4 -31.95 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.434 HD12 HG12 ' A' ' 32' ' ' VAL . 13.9 mt -73.62 -21.58 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -86.87 -57.53 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.46 97.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.15 113.44 34.06 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.45 13.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.1 48.02 3.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -104.25 -72.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.551 HG21 ' HE1' ' A' ' 20' ' ' TYR . 19.4 t -124.01 125.28 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -91.43 134.65 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.906 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 21.9 mt -118.22 128.59 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' LYS . 8.5 mm-40 -141.15 164.38 30.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.85 -10.21 74.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -48.54 164.53 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.03 168.98 23.62 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.439 1.757 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.83 7.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.76 -6.13 56.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.9 mt -119.9 99.28 49.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.55 18.08 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -76.71 83.73 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.36 178.9 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -51.36 140.06 25.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.496 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 24.9 p -55.32 -22.19 18.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -9.48 58.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 15.9 m-85 -106.5 154.74 20.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.41 159.87 53.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' HD12 ' A' ' 66' ' ' LEU . 57.7 p -46.18 -53.61 10.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -51.39 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 38.7 m-80 -56.26 -38.78 71.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD22 HG21 ' A' ' 12' ' ' VAL . 72.3 mt -63.98 -63.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.1 mt-10 -37.3 -32.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.843 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 46.6 mtp85 -73.46 -55.65 6.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 76' ' ' ILE . 11.4 mt -45.44 -65.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.646 ' HG ' HG22 ' A' ' 12' ' ' VAL . 51.7 mt -47.61 -28.38 2.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.843 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -66.91 -55.24 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.4 m -91.28 20.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.45 -27.62 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 7.7 mmtt -63.3 -48.29 78.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 73' ' ' ALA . 42.9 mt -43.71 126.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' GLU . 27.5 tttm -134.58 121.17 20.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -93.6 151.27 19.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 52.3 m -125.0 131.04 53.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 24' ' ' LEU . 68.1 t -116.81 119.86 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.6 p -76.62 -48.34 19.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.435 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.63 156.93 0.4 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 173.56 14.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.21 132.11 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.85 136.59 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.0 75.33 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.65 168.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.686 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.6 mp -125.55 141.99 40.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.97 -173.49 1.58 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' CB ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER 178.35 -58.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.01 100.5 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -138.57 150.61 46.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.34 101.73 7.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.251 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 62.6 m -50.36 133.38 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 153.63 -141.37 8.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 82.0 2.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.34 122.45 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.46 112.21 23.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.93 97.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.71 161.62 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.82 -111.84 1.73 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.28 110.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.39 -57.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.66 144.37 15.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 8' ' ' LEU . 26.0 mt -41.45 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 8.5 ttp-105 -39.15 -54.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -51.08 58.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.9 -57.26 8.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 66' ' ' LEU . 46.6 t -60.59 -56.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.21 -39.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -78.34 -41.64 32.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 HD23 ' A' ' 70' ' ' LEU . 47.5 tp -48.6 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -40.06 -44.28 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.529 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.8 m120 -63.79 -58.46 6.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -53.75 33.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -43.62 -52.42 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.699 ' HE1' HG21 ' A' ' 44' ' ' VAL . 5.7 t80 -39.43 -58.55 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -37.72 -36.69 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.4 -53.13 15.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.25 -33.97 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 20' ' ' TYR . 51.5 mt -93.49 -27.55 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 103.1 -14.24 55.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.9 mt -47.89 165.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -108.35 -32.05 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 16.5 p90 -86.66 164.07 38.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.47 4.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG21 HD13 ' A' ' 26' ' ' ILE . 10.8 t -106.51 158.81 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -83.3 158.67 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' ' 20' ' ' TYR . 73.7 t -114.32 130.38 24.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.29 3.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' LYS . 4.4 m-30 -55.65 -59.62 4.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.88 -66.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -50.9 -37.77 45.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 mt -68.03 -26.91 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -78.83 -48.33 14.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.71 -45.02 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -120.19 113.48 33.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.56 5.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.33 -20.3 28.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -46.87 -78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.699 HG21 ' HE1' ' A' ' 20' ' ' TYR . 15.8 t -125.84 123.48 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 2.3 mt -92.47 130.63 41.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.876 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 28.3 mt -115.79 126.49 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -139.48 165.65 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.84 -10.38 74.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.97 164.36 0.29 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.974 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 169.29 22.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.94 7.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -5.89 57.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.974 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.93 101.4 47.74 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.624 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -80.96 90.41 5.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -151.65 -178.62 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.808 ' HG3' HG23 ' A' ' 60' ' ' THR . 17.1 ptpt -66.49 155.75 87.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -0.11 9.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.54 1.811 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 t -84.9 -17.36 38.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 57' ' ' LYS . 3.2 p -88.98 -8.73 53.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE1' ' OG1' ' A' ' 60' ' ' THR . 6.2 m-85 -116.06 160.13 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.05 171.94 21.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -42.09 -58.09 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.73 -60.63 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 25.5 m-20 -51.93 -57.92 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 12' ' ' VAL . 60.1 mt -44.36 -60.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.51 -34.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.799 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 56.0 mtt180 -75.59 -55.93 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HG21 ' A' ' 53' ' ' ILE . 7.9 mt -42.75 -67.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.611 ' HG ' HG22 ' A' ' 12' ' ' VAL . 49.6 mt -46.57 -28.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -70.37 -53.69 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.2 m -90.32 19.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.579 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.5 -27.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -43.19 58.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.8 mmtt -59.12 -51.35 70.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.073 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 73' ' ' ALA . 27.0 mt -42.96 118.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -129.1 122.32 29.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.876 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -93.77 151.49 19.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 41.3 m -130.14 122.19 27.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.493 HG11 ' CD2' ' A' ' 24' ' ' LEU . 14.5 t -107.82 144.3 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.0 p -112.36 -61.79 1.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 110.361 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 59.74 157.64 0.1 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' PHE . 18.4 Cg_endo -75.01 55.86 4.08 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' PRO . 6.7 m-85 37.91 86.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -170.55 153.47 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.01 -95.29 0.28 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 62.58 117.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 0.795 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.52 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.1 mp -112.0 140.3 23.3 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.52 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.04 140.32 25.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -73.54 -51.58 5.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.25 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.02 80.73 2.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -95.36 127.85 41.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 64.6 98.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.9 m -115.87 85.22 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.99 -85.99 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 106.84 2.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.14 -61.39 0.18 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.7 p -163.36 167.03 22.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.052 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -142.88 166.79 23.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.5 p 177.59 156.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.66 164.09 18.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -154.01 -56.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.32 159.21 15.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.3 102.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.6 mt -48.79 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.43 -52.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.5 -49.69 69.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.09 -56.12 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 70' ' ' LEU . 62.0 t -64.61 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -44.76 -25.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -93.65 -36.12 12.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' VAL . 42.0 tp -51.96 -71.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -46.27 -35.27 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.594 ' HA ' HG23 ' A' ' 32' ' ' VAL . 60.2 m-20 -68.3 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -53.46 25.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -41.64 -48.73 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.649 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.8 t80 -37.82 -59.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -38.49 -38.24 0.62 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.12 -53.43 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.47 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 20' ' ' TYR . 53.2 mt -102.57 -25.2 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 97.78 -13.31 63.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.7 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.8 mt -47.98 165.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.89 -34.26 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.7 ' CE1' HG21 ' A' ' 26' ' ' ILE . 16.9 p90 -83.78 163.86 47.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.11 11.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 26' ' ' ILE . 8.3 t -121.94 157.84 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -103.27 130.99 50.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG22 ' CD1' ' A' ' 20' ' ' TYR . 73.9 t -69.81 139.42 88.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.98 73.82 4.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -55.17 -42.15 72.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -66.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -54.38 -32.77 57.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 HG12 ' A' ' 32' ' ' VAL . 11.2 mt -70.98 -28.43 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.96 25.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -41.16 74.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.038 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -120.16 113.56 33.98 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.12 17.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.74 43.66 2.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.76 -76.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.479 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 17.0 t -118.9 126.53 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mt -92.75 133.35 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.921 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 21.5 mt -117.0 128.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.9 mm-40 -140.13 164.34 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.62 -10.73 73.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.04 164.43 0.3 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.029 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.04 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.63 8.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.55 -7.57 57.99 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.143 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.029 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.4 mt -119.99 99.9 48.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.32 8.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -79.86 90.7 5.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -151.84 178.58 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.87 151.94 84.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.4 Cg_endo -74.98 -15.43 20.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.7 p -65.92 -33.15 75.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 49.6 p -79.16 -2.29 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.2 m-30 -111.68 153.99 25.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.73 164.29 20.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.499 ' HA ' HD12 ' A' ' 66' ' ' LEU . 15.0 p -40.85 -47.77 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -53.91 -59.25 4.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.29 -45.68 62.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 63' ' ' SER . 46.2 mt -55.94 -60.99 2.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -37.49 -32.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.805 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 87.1 mtt180 -77.26 -54.93 5.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.661 HD11 HG21 ' A' ' 53' ' ' ILE . 5.4 mt -44.67 -63.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.548 ' CD2' HG22 ' A' ' 12' ' ' VAL . 43.9 mt -50.83 -25.67 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -70.42 -53.14 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' LYS . 22.4 m -93.21 19.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.0 -28.4 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.65 -38.75 62.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.4 mmtt -64.66 -50.24 67.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 73' ' ' ALA . 42.4 mt -40.61 126.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.6 tttp -136.63 118.97 15.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.921 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.9 m-85 -90.24 151.91 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.4 m -129.87 118.86 22.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.603 ' O ' HG23 ' A' ' 81' ' ' THR . 5.6 t -98.34 160.31 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 80' ' ' VAL . 4.3 p -157.48 115.69 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 178.15 156.32 0.54 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.2 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -136.5 169.26 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -105.12 -40.17 5.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.731 ' O ' HD22 ' A' ' 87' ' ' LEU . . . 55.15 -168.12 2.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 86' ' ' GLY . 1.4 mm? -135.2 -168.56 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.59 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.6 mp -79.89 140.7 54.41 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.59 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.03 173.17 14.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 86.43 2.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 141.23 26.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -120.29 173.3 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.13 135.86 52.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.7 160.45 43.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.04 96.97 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.1 3.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -136.05 170.84 15.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.5 p 59.05 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -55.49 -58.61 7.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.07 150.84 40.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.0 159.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.94 102.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m 63.57 162.02 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . 57.59 100.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 35.9 mt -43.01 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -46.93 -34.37 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.51 -33.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.2 mt-30 -65.14 -62.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.715 HG22 ' HG ' ' A' ' 70' ' ' LEU . 12.5 t -55.41 -45.6 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -29.03 5.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.77 -38.93 15.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 46.0 tp -53.94 -71.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CD2' ' HG3' ' A' ' 58' ' ' PRO . 5.8 m-30 -44.95 -32.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -54.93 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -53.82 53.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -42.0 -51.97 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.777 ' HE1' HG21 ' A' ' 44' ' ' VAL . 6.9 t80 -44.09 -56.61 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.4 -36.39 0.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' GLY . 41.6 mt-10 -71.53 -55.32 8.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -47.33 -25.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 20' ' ' TYR . 58.8 mt -100.88 -29.08 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 104.02 -18.91 45.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.706 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.3 mt -44.62 165.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -107.63 -34.03 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.706 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.9 p90 -84.51 163.37 47.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.17 3.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.6 t -97.27 162.66 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 158.18 17.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.519 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.3 t -109.51 122.61 38.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 82.15 2.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.19 -47.55 85.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -50.2 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -53.62 -29.61 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.21 -21.57 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 -56.12 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.0 m -58.51 -40.38 82.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.12 113.48 34.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -18.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.8 38.76 3.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.72 -76.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.777 HG21 ' HE1' ' A' ' 20' ' ' TYR . 10.5 t -121.81 120.98 63.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.817 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -89.52 126.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.886 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 20.4 mt -112.36 121.53 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 77' ' ' LYS . 19.6 mm-40 -136.05 164.33 28.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.98 -10.38 73.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.5 mt -49.58 164.29 0.34 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.025 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.94 169.21 23.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 123.75 8.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.792 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.5 -7.23 57.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.025 HD12 ' HG2' ' A' ' 50' ' ' PRO . 17.5 mt -119.81 100.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.97 178.43 7.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.459 1.768 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.43 91.25 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.473 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -150.9 -179.13 7.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -51.0 139.35 23.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.432 ' HG3' ' CD2' ' A' ' 16' ' ' PHE . 18.3 Cg_endo -74.97 -57.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.764 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 9' ' ' ARG . 30.3 p -54.82 -22.1 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.98 -7.86 44.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 19.2 m-85 -108.45 165.68 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.31 159.31 40.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.56 ' HA ' HD12 ' A' ' 66' ' ' LEU . 3.8 p -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.53 -51.6 35.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 7.2 m-20 -58.47 -38.65 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 63' ' ' SER . 66.2 mt -62.64 -63.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -38.69 -32.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.968 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -73.47 -50.09 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.607 HG23 HD11 ' A' ' 76' ' ' ILE . 18.3 mt -51.37 -68.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.715 ' HG ' HG22 ' A' ' 12' ' ' VAL . 52.9 mt -44.39 -26.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.55 -57.09 9.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.449 HG21 ' CD ' ' A' ' 50' ' ' PRO . 31.4 m -91.63 20.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.707 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.53 -28.75 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -44.61 61.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.5 mmtt -59.83 -51.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 73' ' ' ALA . 29.3 mt -40.7 121.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 59.2 tttt -131.08 129.98 42.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.886 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.4 m-85 -102.16 150.56 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 3.3 m -124.9 140.96 52.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.383 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' HB1' ' A' ' 23' ' ' ALA . 67.7 t -125.43 101.34 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.0 p -43.21 -65.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.03 163.05 0.13 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.45 27.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.547 1.814 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -142.08 172.95 11.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -113.71 163.13 15.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.81 117.59 1.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.18 175.45 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.3 mp -77.17 141.91 67.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.02 178.86 6.71 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -139.6 91.43 10.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.24 37.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -154.44 176.03 12.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -115.16 160.04 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.87 166.68 24.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.056 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.47 171.88 14.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.128 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.09 13.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.769 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.72 105.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -101.35 -58.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -121.74 138.22 54.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.803 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -174.44 125.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.01 74.78 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.464 1.103 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -154.88 121.64 5.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -134.2 -49.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.43 149.15 24.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' GLN . 57.9 mt -45.09 -69.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.78 -36.84 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.55 -40.98 80.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . 7.2 mt-30 -56.23 -62.18 1.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.625 HG22 ' HG ' ' A' ' 70' ' ' LEU . 29.8 t -53.76 -54.37 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -26.92 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -91.43 -43.98 9.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD22 HD23 ' A' ' 70' ' ' LEU . 54.2 tp -45.12 -71.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 21.4 m-85 -50.3 -46.56 55.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -53.94 -40.64 66.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -72.53 -60.88 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -43.34 -42.2 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.644 ' CG ' HG22 ' A' ' 32' ' ' VAL . 13.8 t80 -47.93 -59.19 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.9 -41.31 13.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -62.41 -48.88 77.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -62.05 -15.47 45.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.743 HD23 HG11 ' A' ' 80' ' ' VAL . 46.2 mt -106.25 -12.9 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 91.95 -29.18 7.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 28' ' ' TYR . 9.5 mt -44.91 165.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.2 mtmt -111.01 -35.06 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.689 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.6 p90 -81.13 163.46 55.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 28' ' ' TYR . 10.1 t -97.64 159.67 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.09 135.0 34.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.644 HG22 ' CG ' ' A' ' 20' ' ' TYR . 55.0 t -95.2 117.37 66.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 77.55 3.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 56.5 m-85 -58.7 -43.67 90.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -63.62 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -56.27 -34.35 66.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 17.0 mt -70.86 -27.97 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -74.01 -53.68 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -66.91 -40.34 87.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -120.21 113.53 33.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.5 10.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -40.25 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.638 HG21 ' HE1' ' A' ' 20' ' ' TYR . 10.3 t -132.74 120.06 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mt -94.39 128.36 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.888 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 27.6 mt -110.77 123.79 66.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.6 mm-40 -136.19 162.77 32.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.7 68.42 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.27 164.91 0.29 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 168.59 24.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.26 7.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.4 -5.65 57.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.985 HD11 ' HD3' ' A' ' 68' ' ' ARG . 16.2 mt -120.07 100.62 48.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.76 15.73 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -81.55 87.27 6.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -142.7 179.66 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 146.96 92.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.535 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.3 Cg_endo -74.97 -8.16 19.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.7 t -76.67 -35.59 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -76.57 -4.85 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.0 m-30 -103.29 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . . . -109.08 159.71 13.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' GLY . 4.6 p -39.34 -46.31 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 110.048 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -58.59 7.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -54.9 -38.76 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.337 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 12' ' ' VAL . 78.9 mt -62.17 -64.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -38.73 -31.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.985 ' HD3' HD11 ' A' ' 53' ' ' ILE . 1.0 OUTLIER -75.05 -49.85 18.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.643 HG23 HD11 ' A' ' 76' ' ' ILE . 8.3 mt -49.92 -64.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.625 ' HG ' HG22 ' A' ' 12' ' ' VAL . 45.7 mt -48.99 -26.49 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.883 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -63.92 -56.07 17.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG21 ' CD ' ' A' ' 50' ' ' PRO . 27.3 m -91.17 20.78 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -45.42 -27.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -47.92 36.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ILE . 9.3 mmtt -56.18 -51.31 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.643 HD11 HG23 ' A' ' 69' ' ' ILE . 41.8 mt -39.87 127.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.5 tttt -138.83 123.42 18.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.888 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -92.84 151.31 20.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.8 m -122.22 130.04 52.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.743 HG11 HD23 ' A' ' 24' ' ' LEU . 69.6 t -120.87 126.51 75.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.5 p -74.36 -60.59 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -41.07 161.98 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 138.82 23.43 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.4 p90 -120.51 165.41 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -107.21 154.22 21.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.49 -150.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.86 127.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.5 mp -133.29 141.87 42.19 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.97 167.59 26.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -92.61 114.95 63.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.14 25.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -177.38 114.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 95' ' ' GLY . 20.7 tt0 -140.23 -58.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.5 t 69.17 -68.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' GLU . . . 96.6 142.08 12.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.15 41.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.66 -84.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.3 85.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.18 -58.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.32 132.75 7.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.05 -174.74 16.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -178.5 144.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.99 174.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.24 141.77 5.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' GLN . 30.9 mt -42.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.63 -39.27 1.03 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -44.93 77.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 21.0 mt-30 -52.56 -60.37 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.701 HG22 ' HG ' ' A' ' 70' ' ' LEU . 7.7 t -57.94 -45.53 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -48.95 -29.84 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.57 -38.72 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD22 HD23 ' A' ' 70' ' ' LEU . 57.9 tp -51.36 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 109.313 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -43.7 -36.56 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.587 ' HA ' HG23 ' A' ' 32' ' ' VAL . 38.0 m-20 -69.08 -55.22 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.17 -54.49 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 18.0 mmtt -40.27 -43.81 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.746 ' HE1' HG21 ' A' ' 44' ' ' VAL . 5.2 t80 -50.79 -57.33 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -39.22 -36.22 0.54 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.8 mt-10 -70.56 -56.44 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.726 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB1' HG23 ' A' ' 80' ' ' VAL . . . -44.83 -36.56 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 20' ' ' TYR . 49.1 mt -89.98 -28.6 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 99.92 -11.45 60.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.684 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.4 mt -44.91 165.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mmpt? -107.03 -32.67 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.684 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.8 p90 -86.71 164.14 38.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 26' ' ' ILE . 11.4 t -107.5 160.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.62 148.15 24.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.687 HG22 ' CD1' ' A' ' 20' ' ' TYR . 54.6 t -89.01 136.73 30.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.98 73.28 4.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -54.88 -35.29 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -62.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -56.95 -27.19 60.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.44 HD12 ' CG1' ' A' ' 32' ' ' VAL . 17.2 mt -77.7 -21.6 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.94 -55.88 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.4 t -61.0 -41.93 97.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.962 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -120.14 113.44 34.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.01 12.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.3 46.88 3.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.0 m -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.746 HG21 ' HE1' ' A' ' 20' ' ' TYR . 11.7 t -118.09 120.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.82 ' N ' HD13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -88.31 128.19 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.914 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 18.7 mt -114.36 118.89 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.5 mm-40 -134.28 164.11 28.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.5 -10.72 70.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.7 mt -48.49 164.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.976 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 123.14 7.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.53 -6.29 57.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.976 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -119.8 99.59 49.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.57 0.806 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.75 17.71 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.511 1.796 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.06 85.53 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -144.96 179.6 7.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -50.38 141.71 15.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.444 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.97 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.57 -26.13 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -68.56 -13.33 62.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.2 m-85 -105.09 144.37 31.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.46 161.8 34.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' HD12 ' A' ' 66' ' ' LEU . 50.6 p -47.83 -50.08 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -51.91 43.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 31.9 m-80 -59.08 -37.87 78.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 12' ' ' VAL . 83.9 mt -63.87 -63.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -36.95 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.848 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 52.8 mtp85 -73.67 -54.32 8.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.588 HG23 HD11 ' A' ' 76' ' ' ILE . 16.2 mt -45.69 -66.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.701 ' HG ' HG22 ' A' ' 12' ' ' VAL . 60.1 mt -46.75 -29.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -65.83 -54.85 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' LYS . 23.3 m -91.54 20.23 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.685 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -46.76 -27.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.51 -43.08 60.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.9 mmtt -60.09 -51.7 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 73' ' ' ALA . 24.3 mt -41.08 122.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 31.1 tttt -131.71 123.86 28.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.914 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.5 m-85 -96.9 149.52 21.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 3.2 m -123.97 144.64 49.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.542 HG23 ' HB1' ' A' ' 23' ' ' ALA . 73.9 t -128.56 100.75 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.9 p -41.12 -65.96 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.23 163.64 0.69 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.449 1.763 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 46.27 78.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 61.27 173.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -136.56 136.68 8.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.4 HD13 ' HA3' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -129.6 150.01 51.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.618 HG23 ' HD2' ' A' ' 89' ' ' PRO . 5.2 mp -77.77 141.32 64.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.01 -177.96 3.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm 65.21 78.1 0.27 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.06 4.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.28 156.63 25.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.11 155.22 40.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -174.15 157.2 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.77 95.39 0.1 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.09 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.92 9.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.77 122.76 43.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.24 129.63 29.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.432 1.083 . . . . 0.0 111.011 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.54 104.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.71 132.6 25.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.69 142.33 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -175.14 140.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 109.957 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.42 152.26 27.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.89 120.85 4.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 28.0 mt -40.4 -70.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -40.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -44.2 84.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 12.2 mt-30 -53.54 -60.06 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.677 HG22 ' HG ' ' A' ' 70' ' ' LEU . 21.8 t -57.48 -51.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.82 -29.67 3.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -89.47 -33.97 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 73' ' ' ALA . 52.3 tp -55.22 -71.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -48.86 -31.98 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 20' ' ' TYR . 7.8 m-20 -70.05 -59.92 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.59 -55.28 31.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 26.9 mmtt -40.24 -43.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 24' ' ' LEU . 3.7 t80 -47.68 -57.87 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -39.02 -36.03 0.46 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' GLY . 66.1 mt-10 -75.47 -55.49 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -31.64 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.948 ' CD2' HG11 ' A' ' 80' ' ' VAL . 28.4 mt -94.64 -29.08 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 102.44 -13.91 56.74 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.8 mt -45.99 165.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.64 -33.48 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 15.7 p90 -85.39 164.46 40.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG21 HD13 ' A' ' 26' ' ' ILE . 11.0 t -108.0 161.25 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -107.65 133.55 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG22 ' CD1' ' A' ' 20' ' ' TYR . 72.0 t -73.43 136.0 78.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.99 72.49 4.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -53.79 -54.43 38.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -45.43 -66.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -53.32 -31.28 43.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.454 HD12 HG12 ' A' ' 32' ' ' VAL . 11.1 mt -72.38 -23.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -79.37 -47.63 15.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.3 m -66.9 -43.65 82.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -120.17 113.33 34.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.54 14.74 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.417 1.746 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.51 43.29 3.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.68 -72.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.4 t -121.0 120.41 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mt -88.2 134.09 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.841 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 23.3 mt -120.12 128.7 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -141.75 161.94 36.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.03 -10.73 69.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -47.64 164.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.969 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 168.84 23.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 121.92 6.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.88 -4.88 56.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.969 HD12 ' HG2' ' A' ' 50' ' ' PRO . 18.1 mt -119.86 102.04 47.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.437 0.728 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.87 12.04 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CE1' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -79.35 83.88 5.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -144.12 -179.78 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -68.22 149.88 97.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.608 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.1 Cg_endo -75.08 -11.44 21.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.89 -43.81 97.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.341 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.1 p -75.93 -2.24 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.608 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 15.2 m-30 -103.43 154.32 19.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.11 164.8 18.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 p -45.62 -39.09 7.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.16 -53.99 47.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.57 -39.26 87.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.596 HD22 HG21 ' A' ' 12' ' ' VAL . 70.9 mt -62.24 -63.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -36.9 -34.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.6 mtp85 -74.09 -54.71 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.678 HD11 HG21 ' A' ' 53' ' ' ILE . 4.0 mt -44.75 -66.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.677 ' HG ' HG22 ' A' ' 12' ' ' VAL . 50.5 mt -46.6 -28.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.61 -53.75 25.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 75' ' ' LYS . 19.5 m -91.81 20.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.45 -27.13 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -40.62 60.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.5 mmtt -62.32 -50.01 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 73' ' ' ALA . 41.5 mt -43.01 129.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.4 tttm -138.56 117.86 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.841 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.6 m-85 -90.9 151.52 21.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.6 m -124.36 127.16 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 24' ' ' LEU . 70.1 t -119.97 132.93 68.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.8 p -98.69 -53.89 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 61.09 159.13 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.772 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.08 115.05 22.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.88 -57.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -115.02 -170.69 16.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.633 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.01 167.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 89' ' ' PRO . 14.2 mm -53.58 140.82 46.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.04 156.96 42.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 4.4 tttt -49.54 129.47 18.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -74.96 94.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.0 117.63 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.93 131.46 35.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.3 t -119.11 92.56 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -140.22 -157.46 7.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.02 41.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 t -164.54 123.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 p -138.45 105.68 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -103.73 140.0 38.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 p -174.13 148.5 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.981 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.55 -173.01 19.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.15 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.95 113.52 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 p 176.41 132.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.97 111.16 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.565 1.166 . . . . 0.0 111.04 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 mt -40.71 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 6.1 ttm105 -39.04 -46.54 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.43 -44.86 89.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -52.04 -58.85 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.661 HG22 ' HG ' ' A' ' 70' ' ' LEU . 12.3 t -60.15 -44.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -24.71 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -93.88 -41.49 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 70' ' ' LEU . 57.4 tp -47.06 -71.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' HE1' HD13 ' A' ' 76' ' ' ILE . 9.6 m-30 -45.79 -48.35 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -56.58 -37.72 70.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.75 -62.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -43.59 -41.26 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.809 ' CG ' HG22 ' A' ' 32' ' ' VAL . 33.1 t80 -51.5 -62.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -37.37 -40.51 0.64 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 47.9 mt-10 -65.32 -52.94 50.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 0.738 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.7 -26.46 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.91 ' CD2' HG11 ' A' ' 80' ' ' VAL . 59.2 mt -99.56 -30.52 12.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 108.64 -21.26 28.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.7 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.1 mt -45.13 165.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -109.7 -36.34 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.7 ' CE1' HG21 ' A' ' 26' ' ' ILE . 20.8 p90 -80.25 163.76 55.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.14 3.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.612 HG22 ' CE1' ' A' ' 28' ' ' TYR . 9.6 t -98.68 158.54 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.2 109.72 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.809 HG22 ' CG ' ' A' ' 20' ' ' TYR . 76.3 t -55.67 140.56 66.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -75.04 70.1 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -54.8 -55.77 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -29.95 35.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.452 HD12 HG12 ' A' ' 32' ' ' VAL . 16.8 mt -72.49 -22.4 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -85.05 -53.2 5.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -63.64 -43.93 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -120.14 113.49 34.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.09 20.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.62 50.29 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -110.03 -76.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 110.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 24.5 t -120.89 120.06 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -90.09 133.85 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.944 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 19.6 mt -116.73 127.1 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.84 166.17 24.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.77 -10.81 73.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.452 1.095 . . . . 0.0 111.058 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.44 HD23 ' CG1' ' A' ' 76' ' ' ILE . 11.7 mt -49.13 164.1 0.32 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.961 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 168.96 23.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.36 7.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.41 -6.28 57.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.961 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.2 mt -119.52 99.41 49.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 170.48 20.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -76.53 86.61 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.5 mmt-85 -145.86 -179.9 7.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -51.09 141.0 20.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.456 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.05 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.768 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.408 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 7.6 p -53.54 -25.75 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -6.89 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.448 ' HB3' ' CB ' ' A' ' 65' ' ' ASN . 21.5 m-85 -113.19 153.05 28.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.84 164.22 53.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' HD12 ' A' ' 66' ' ' LEU . 16.9 p -49.74 -46.02 49.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -53.17 -55.09 26.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 2.3 m120 -56.06 -37.67 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 12' ' ' VAL . 80.3 mt -64.87 -63.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -37.43 -31.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.849 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 90.7 mtt180 -74.27 -52.7 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' A' ' 76' ' ' ILE . 17.1 mt -48.36 -63.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.661 ' HG ' HG22 ' A' ' 12' ' ' VAL . 55.9 mt -49.66 -24.68 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -69.74 -56.15 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' LYS . 27.8 m -90.17 18.04 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -45.57 -27.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -71.18 -45.76 62.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' VAL . 8.3 mptt -61.86 -50.86 70.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.755 ' CD1' HG23 ' A' ' 69' ' ' ILE . 55.1 mt -39.78 116.41 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -129.1 128.22 43.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.944 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -97.96 150.53 21.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.5 m -122.48 134.14 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.91 HG11 ' CD2' ' A' ' 24' ' ' LEU . 78.3 t -124.83 100.71 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.4 p -39.23 -51.02 1.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -49.99 160.08 0.7 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.21 15.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -138.18 148.71 45.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -76.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.2 177.5 17.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' HA ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -116.83 103.53 10.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.557 HG23 ' HD2' ' A' ' 89' ' ' PRO . 4.1 mp -70.73 140.6 86.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.557 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.96 -177.25 3.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.787 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' CB ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER 178.74 -58.21 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -75.02 55.27 3.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 t0 63.81 135.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.93 127.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.4 p -141.77 100.36 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.14 -147.98 23.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.68 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.53 77.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.949 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -145.03 97.89 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -90.4 167.68 12.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -113.91 -59.66 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.23 141.07 3.63 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -123.41 98.31 5.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 110.037 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.71 166.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.036 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.15 88.12 0.68 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 8' ' ' LEU . 22.4 mt -42.37 -71.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.45 -47.54 81.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' LEU . 2.4 mt-30 -54.27 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.666 HG22 ' HG ' ' A' ' 70' ' ' LEU . 39.9 t -56.1 -55.62 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.46 -38.69 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -79.62 -36.19 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD22 HD23 ' A' ' 70' ' ' LEU . 45.4 tp -54.48 -71.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -41.96 -35.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.71 ' HA ' HG23 ' A' ' 32' ' ' VAL . 86.8 m-20 -72.45 -59.92 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.39 -58.42 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -41.51 -49.31 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.711 ' CD1' HG22 ' A' ' 32' ' ' VAL . 3.2 t80 -39.31 -54.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.33 -33.34 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.84 -54.02 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 0.741 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.0 -49.31 16.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.948 ' CD2' HG11 ' A' ' 80' ' ' VAL . 52.4 mt -78.75 -24.55 44.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.13 69.34 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.714 HG21 ' CE1' ' A' ' 28' ' ' TYR . 7.1 mt -43.92 165.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.6 tttp -105.42 -35.17 7.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.714 ' CE1' HG21 ' A' ' 26' ' ' ILE . 18.1 p90 -84.37 163.9 45.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 114.66 4.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 28' ' ' TYR . 11.1 t -101.99 160.19 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -106.6 131.12 54.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' A' ' 20' ' ' TYR . 77.6 t -71.25 134.31 85.04 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 32' ' ' VAL . 18.2 Cg_endo -74.96 72.48 4.62 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -54.87 -48.15 73.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.38 -63.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.89 -30.17 61.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.418 HD12 HG12 ' A' ' 32' ' ' VAL . 21.5 mt -73.24 -27.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -46.79 21.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -42.69 73.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.11 113.39 34.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.75 7.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.74 48.5 4.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 p -108.37 -71.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' O ' ' CZ ' ' A' ' 55' ' ' PHE . 25.6 t -118.82 126.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.48 130.81 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.925 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 22.7 mt -114.34 129.83 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.45 165.15 28.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.65 -10.39 74.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.4 mt -49.1 163.72 0.33 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.951 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.06 169.93 21.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 121.87 6.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.7 56.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.951 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -119.8 99.35 49.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 175.47 11.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -78.52 85.6 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.93 178.66 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -65.86 150.4 96.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 -15.69 20.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.759 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 60' ' ' THR . 18.0 p -66.43 -39.72 89.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.463 HG23 ' SG ' ' A' ' 59' ' ' CYS . 59.5 p -72.64 -8.17 53.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.434 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 69' ' ' ILE . 18.4 m-30 -102.82 162.77 12.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.29 166.4 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.1 p -42.95 -47.36 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -63.91 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -49.73 -55.32 14.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 HG21 ' A' ' 12' ' ' VAL . 57.7 mt -45.9 -62.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -36.7 -34.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.799 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 26.3 mtt85 -77.33 -52.8 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 61' ' ' PHE . 19.5 mt -44.18 -62.69 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.738 HD23 HD22 ' A' ' 15' ' ' LEU . 41.1 mt -52.61 -26.73 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -67.59 -54.74 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG21 ' CD ' ' A' ' 50' ' ' PRO . 29.8 m -88.06 15.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 15' ' ' LEU . . . -43.79 -27.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 72' ' ' VAL . 0.4 OUTLIER -72.29 -49.28 35.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.7 mptt -60.77 -53.43 57.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 73' ' ' ALA . 19.2 mt -38.6 109.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -123.6 129.95 51.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.925 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.8 m-85 -98.92 151.17 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 32.6 m -121.84 126.62 49.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 24' ' ' LEU . 74.5 t -115.22 112.11 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.6 p -66.74 -53.63 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -44.37 156.5 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 146.36 32.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -145.16 179.48 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -137.58 142.8 41.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -164.06 124.51 1.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.3 134.5 51.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.687 HG23 ' HD2' ' A' ' 89' ' ' PRO . 17.2 mm 66.93 141.89 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -75.02 170.5 20.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -142.87 69.11 18.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.54 15.56 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.456 1.766 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.86 162.47 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -135.52 -61.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.4 t -177.55 144.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.03 -151.86 13.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.461 1.1 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.6 p -166.84 166.93 15.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.2 m 62.35 108.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -112.48 148.61 34.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -135.52 139.37 43.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.89 95.02 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.19 -55.94 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.13 151.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.35 105.7 3.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' GLN . 45.5 mt -40.25 -68.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.756 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 -42.66 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -43.79 87.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mt-30 -55.06 -51.32 66.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.515 HG22 ' CD2' ' A' ' 70' ' ' LEU . 58.3 t -67.08 -53.61 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -45.63 -25.06 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -94.68 -37.26 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.585 ' CD1' ' HB1' ' A' ' 73' ' ' ALA . 35.3 tp -50.71 -71.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -47.41 -37.79 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.759 ' HA ' HG23 ' A' ' 32' ' ' VAL . 59.3 m-20 -64.42 -58.04 7.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -55.82 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -41.63 -46.38 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CD1' HG22 ' A' ' 32' ' ' VAL . 4.0 t80 -39.02 -55.71 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -40.71 -42.73 2.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' GLY . 34.9 mt-10 -71.39 -54.52 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.87 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.785 HD21 HG21 ' A' ' 80' ' ' VAL . 48.8 mt -100.64 -29.22 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 105.35 -13.4 47.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.728 HD13 HG21 ' A' ' 30' ' ' VAL . 7.4 mt -48.32 164.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -107.3 -31.33 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.677 ' CE1' HG21 ' A' ' 26' ' ' ILE . 13.5 p90 -88.31 163.91 34.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 117.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.728 HG21 HD13 ' A' ' 26' ' ' ILE . 12.1 t -107.97 160.23 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -102.67 135.36 44.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.759 HG23 ' HA ' ' A' ' 17' ' ' ASN . 55.5 t -75.8 140.14 70.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.2 Cg_endo -75.05 73.0 4.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -55.0 -53.11 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -47.59 -64.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -54.56 -32.93 59.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD12 HG12 ' A' ' 32' ' ' VAL . 11.9 mt -71.39 -22.88 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -82.78 -45.38 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -70.34 -43.22 70.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.25 113.35 33.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.4 14.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.1 47.76 3.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.89 -70.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 78' ' ' PHE . 21.5 t -120.97 126.82 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' PHE . 4.2 mt -90.53 133.64 31.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.887 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 26.4 mt -118.32 129.13 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.4 mm-40 -142.97 162.34 35.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.32 -10.39 71.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.7 mt -48.42 164.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.035 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.99 169.37 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.778 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.83 8.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.24 -6.98 58.23 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.035 HD12 ' HG2' ' A' ' 50' ' ' PRO . 22.9 mt -119.87 100.9 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.85 8.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -82.44 89.52 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -149.09 179.52 7.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -62.78 149.9 88.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 18.2 Cg_endo -75.01 -12.67 21.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.467 ' SG ' HG23 ' A' ' 60' ' ' THR . 14.7 p -70.04 -40.2 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 59' ' ' CYS . 75.2 p -71.55 -5.04 30.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 14.1 m-30 -104.9 163.29 12.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 163.48 13.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 66' ' ' LEU . 24.6 p -40.31 -55.31 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -49.53 -57.06 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -52.32 -40.6 62.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 63' ' ' SER . 60.7 mt -62.04 -62.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -36.93 -32.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.841 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 38.0 mtp85 -74.61 -56.85 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 76' ' ' ILE . 8.2 mt -44.76 -65.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 12' ' ' VAL . 49.0 mt -45.44 -28.93 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -68.12 -55.62 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' LYS . 24.4 m -90.88 19.87 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -48.85 -26.09 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -39.67 52.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' VAL . 13.1 mmtt -62.45 -51.17 68.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 73' ' ' ALA . 27.4 mt -40.86 125.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.3 ttmt -133.91 114.41 13.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.887 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -86.39 152.69 22.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -130.29 123.21 29.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.785 HG21 HD21 ' A' ' 24' ' ' LEU . 17.6 t -105.59 155.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 80' ' ' VAL . 5.0 p -158.97 114.95 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -159.53 163.35 23.41 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 124.12 8.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.6 t80 53.98 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -150.28 128.11 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.291 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.37 -152.9 24.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 68.77 132.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.706 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.4 mp -128.57 142.53 45.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.3 Cg_endo -74.96 144.0 29.88 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.557 1.819 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -61.8 134.35 94.0 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -74.92 143.4 29.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 175.25 157.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.356 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.48 -60.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 p -47.46 137.24 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.7 149.28 5.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.48 9.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -62.69 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -116.58 124.42 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -68.74 -58.33 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.63 -57.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.96 178.67 17.98 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -150.4 172.08 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.979 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -114.01 148.41 37.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' GLU . . . 94.78 103.08 1.82 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.3 mt -40.91 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.734 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -46.27 -32.99 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' GLY . 3.5 mm-40 -77.08 -33.23 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mt-30 -61.79 -53.34 57.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG11 ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -66.17 -52.92 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -45.34 -26.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.1 -42.75 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.614 HD11 ' HB1' ' A' ' 73' ' ' ALA . 30.0 tp -43.11 -71.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -43.96 -49.67 8.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.894 ' HA ' HG23 ' A' ' 32' ' ' VAL . 71.6 m-20 -55.54 -54.05 48.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -40.88 -42.03 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.824 ' CD1' HG22 ' A' ' 32' ' ' VAL . 3.1 t80 -42.94 -47.67 5.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -46.32 -28.11 3.1 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLY . 60.7 mt-10 -79.45 -58.04 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.99 -26.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 80' ' ' VAL . 37.6 mt -101.67 -28.01 12.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . 98.79 -15.07 61.26 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.696 HG21 ' CE1' ' A' ' 28' ' ' TYR . 8.2 mt -43.83 165.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 1.3 mmtp -107.97 -33.64 7.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 26' ' ' ILE . 17.6 p90 -84.81 163.99 44.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.567 1.825 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 26' ' ' ILE . 10.9 t -102.62 159.24 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -105.2 124.4 49.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.894 HG23 ' HA ' ' A' ' 17' ' ' ASN . 74.7 t -66.11 135.14 95.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 32' ' ' VAL . 18.4 Cg_endo -74.97 74.47 3.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.791 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.6 m-85 -55.76 -56.54 19.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -44.81 -61.33 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -57.18 -34.05 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.404 HD12 HG12 ' A' ' 32' ' ' VAL . 10.7 mt -71.95 -22.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -82.87 -44.16 15.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -41.21 66.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -120.27 113.49 33.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.51 13.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.08 50.16 3.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.461 1.1 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.95 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.546 HG21 ' HE1' ' A' ' 20' ' ' TYR . 18.2 t -127.26 121.35 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.743 HD12 ' HB ' ' A' ' 79' ' ' THR . 1.1 mp -88.0 135.91 24.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.889 HD11 ' CZ ' ' A' ' 78' ' ' PHE . 24.0 mt -118.51 121.02 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -134.33 166.04 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.69 -11.14 72.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 76' ' ' ILE . 11.8 mt -49.16 163.89 0.33 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.978 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 169.32 22.88 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.474 1.776 . . . . 0.0 111.048 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.2 8.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.66 -6.0 58.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.978 HD12 ' HG2' ' A' ' 50' ' ' PRO . 15.4 mt -119.91 101.13 48.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.477 ' HB2' ' CD ' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -75.01 179.38 6.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CD1' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -88.19 87.67 7.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' CD ' ' HB2' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -151.26 -178.82 6.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.1 mtmt -49.56 136.79 17.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.541 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 -48.74 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.462 ' HA ' ' CG ' ' A' ' 9' ' ' ARG . 22.5 t -56.42 -21.64 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.52 -11.5 60.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -103.44 168.62 9.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.81 153.41 29.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.612 ' HA ' HD12 ' A' ' 66' ' ' LEU . 67.6 p -45.71 -47.28 15.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 110.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -49.1 61.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -59.25 -39.98 84.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 63' ' ' SER . 49.1 mt -60.89 -60.8 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -37.86 -32.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.808 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 62.5 mtp180 -75.1 -55.91 5.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.65 HG23 ' CD1' ' A' ' 76' ' ' ILE . 15.4 mt -45.55 -63.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 12' ' ' VAL . 46.6 mt -48.93 -23.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.808 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -75.95 -50.42 15.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' LYS . 18.5 m -95.12 19.99 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.721 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -49.32 -23.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -75.06 -40.62 60.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.3 mptt -63.09 -52.12 63.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 73' ' ' ALA . 23.3 mt -40.16 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -126.69 116.33 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.889 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 4.7 m-85 -87.06 151.09 23.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.743 ' HB ' HD12 ' A' ' 45' ' ' ILE . 82.0 m -122.65 133.2 54.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 24' ' ' LEU . 78.4 t -123.36 100.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 81' ' ' THR . 79.4 p -42.05 -51.85 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -46.75 157.84 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.53 37.06 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 7.4 p90 -167.12 161.87 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.02 170.41 10.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.54 157.38 23.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.41 154.23 35.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 89' ' ' PRO . 3.3 mp -74.64 141.53 76.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 88' ' ' ILE . 18.2 Cg_endo -74.97 -173.75 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -136.26 152.24 74.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.34 32.59 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 45.5 p-10 -120.1 164.04 16.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -174.15 159.48 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t 63.84 149.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.08 -76.37 0.19 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -174.69 2.03 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 t 71.25 -68.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.53 168.31 23.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.981 . . . . . . . . 0 0 . 1 stop_ save_