data_2dk4_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 2dk4 _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 ' 26' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -107.7 118.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -73.42 167.62 20.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -39.73 -55.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 13.9 tt0 -57.93 -45.68 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.95 -24.54 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' ' 57' ' ' LEU . 3.3 t -91.71 -31.55 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 37' ' ' ARG . 41.3 mt -70.07 -44.77 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.11 -62.75 1.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.443 ' NE ' ' OE1' ' A' ' 61' ' ' GLU . 11.1 mtt85 -58.26 -62.62 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 90.4 mt -40.49 -46.84 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.49 -62.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.99 -17.34 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -14.89 28.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.33 9.89 81.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.84 156.63 74.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.3 pt -58.38 -23.27 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 4.5 tpt180 -153.1 112.5 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mt -74.4 -171.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -86.93 67.62 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.67 51.46 0.34 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 mt-10 -121.59 164.23 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -130.12 177.03 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.27 -46.66 55.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -61.82 -62.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -55.02 7.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.17 81.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 10.2 t80 -56.63 -60.83 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -50.93 -48.12 60.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -47.99 -59.62 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' CB ' HG12 ' A' ' 32' ' ' VAL . 1.6 tm? -62.59 -50.6 70.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.66 -25.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' LEU . 15.2 tttt -92.13 -35.88 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' LEU . 37.0 mt -60.99 -45.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 14.9 mm-40 -53.99 -27.32 30.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.8 mt -76.58 -58.48 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.32 136.22 47.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -76.03 160.98 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.06 -57.62 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -48.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.57 -23.58 41.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 36' ' ' LEU . 71.9 t -94.71 -30.44 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.1 mt -73.45 -37.74 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -53.68 -70.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' HD3' ' CD1' ' A' ' 57' ' ' LEU . 12.6 mtt85 -48.86 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 32' ' ' VAL . 92.5 mt -39.26 -52.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -59.24 -59.33 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.21 -30.97 29.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -20.3 34.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.58 7.85 62.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.8 mm-40 -78.35 156.71 78.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 pt -62.61 -16.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.42 105.23 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -78.97 -177.85 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -53.21 92.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.98 58.53 13.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -102.62 168.71 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -130.1 159.91 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 54' ' ' PHE . 6.7 m-20 -40.34 -45.75 2.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -53.78 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -29.82 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 10.8 t80 -75.36 -55.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -53.91 -46.46 71.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -50.27 -58.42 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.462 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.51 -50.82 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -24.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 57' ' ' LEU . 17.7 tttt -92.19 -35.71 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.0 mt -61.45 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' CG ' HD11 ' A' ' 57' ' ' LEU . 26.7 mm-40 -51.89 -38.49 56.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.98 -54.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.3 mt -97.9 136.92 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 m -82.05 164.94 21.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.478 HH11 ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -40.41 -55.87 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' NE2' HH11 ' A' ' 29' ' ' ARG . 1.0 OUTLIER -59.1 -43.64 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 12.4 tp10 -60.41 -24.76 65.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 36' ' ' LEU . 40.9 t -94.42 -32.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.78 -38.73 80.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' A' ' 61' ' ' GLU . 1.3 mpt_? -51.57 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' HG11 ' A' ' 32' ' ' VAL . 69.4 mt -40.6 -61.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -47.79 -53.93 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.98 -26.11 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -12.21 42.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 8.41 83.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.28 156.53 81.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.445 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 117.94 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 pt -57.45 -29.13 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 105.23 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.4 mp -72.18 -78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -154.5 90.82 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.45 29.54 74.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.3 113.05 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -74.67 162.05 29.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' PHE . 23.1 m-20 -40.96 -46.94 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -55.51 32.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -54.59 41.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.62 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 6.0 t80 -66.22 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -50.41 -36.03 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 42' ' ' PRO . 40.2 ttp85 -58.7 -62.2 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -58.26 -49.89 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' LEU . 12.6 ttpt -92.31 -35.41 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . 33.4 mt -61.33 -45.69 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' CG ' HD13 ' A' ' 57' ' ' LEU . 55.5 mm-40 -51.09 -30.15 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.0 mt -79.26 -51.34 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.33 140.42 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' ARG . 90.9 p -87.99 164.22 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -36.95 -63.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.97 -52.25 35.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.65 -23.87 19.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -94.67 -26.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' ARG . 31.5 mt -77.16 -38.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.89 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' ARG . 12.9 mtt85 -45.62 -65.27 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 65.8 mt -39.63 -44.39 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -69.21 -53.11 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -14.01 20.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -98.9 -16.26 18.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 -0.41 76.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -76.73 157.3 82.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.0 123.83 8.17 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.7 pt -65.71 -17.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt85 -145.23 103.58 3.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -79.87 -171.39 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.01 93.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.62 57.64 15.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.1 mt-10 -107.28 121.12 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 t -80.45 160.28 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.43 -52.76 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -50.22 72.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -57.11 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -44.19 79.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 6.3 t80 -57.29 -55.93 28.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -52.93 -57.97 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -39.06 -59.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 1.6 tm? -60.96 -51.07 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.21 -24.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' LEU . 39.0 tptt -92.43 -34.92 13.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -62.1 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' CG ' HD11 ' A' ' 57' ' ' LEU . 34.9 mm-40 -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.39 -57.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.363 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.83 118.32 36.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' ARG . 53.7 m -69.68 164.78 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.94 -64.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.65 -53.72 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -51.31 -24.74 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.8 -35.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.03 -38.7 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.74 -72.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' NE ' ' OE2' ' A' ' 61' ' ' GLU . 13.0 mtt85 -47.25 -63.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 80.3 mt -39.79 -57.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -54.6 -45.31 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -75.1 -1.77 24.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -107.2 -30.54 8.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.55 35.4 4.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.82 165.49 13.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.77 5.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.8 pt -56.72 -22.19 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -153.96 118.76 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -82.61 -177.79 6.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.61 100.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.82 52.97 44.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.8 OUTLIER -107.19 127.49 53.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' ASP . 3.3 t -81.13 156.26 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.0 OUTLIER -40.44 -55.6 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -54.52 -41.47 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.52 -57.13 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.34 76.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.544 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.8 t80 -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -47.2 -50.89 19.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -43.1 -63.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -56.72 -50.54 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.87 -25.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' LEU . 16.3 tttt -92.22 -35.71 13.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.7 mt -61.11 -45.47 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.0 mm-40 -52.85 -20.38 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.9 mt -86.5 -59.86 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.8 mt -151.86 111.1 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.8 m -72.93 163.03 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 33' ' ' ILE . 20.4 mtt85 -39.02 -57.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -37.98 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . 4.4 tp10 -65.68 -29.65 70.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.2 t -89.86 -26.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.1 mt -77.12 -44.31 31.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -47.62 -69.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.464 ' HD3' ' CD1' ' A' ' 57' ' ' LEU . 30.0 mtt85 -45.64 -67.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' ARG . 58.6 mt -38.7 -48.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -54.63 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.07 -14.94 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -18.24 19.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.61 71.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.22 157.08 81.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.05 117.65 4.97 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 pt -55.17 -34.73 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tpt180 -135.11 108.83 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -77.29 -172.48 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -87.1 78.92 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.81 56.69 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 16.8 mt-10 -126.24 163.27 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 50' ' ' ASP . 10.1 t -130.23 -168.05 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.447 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.6 OUTLIER -61.57 -46.99 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.18 -62.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.22 -60.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.45 -55.66 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 20.9 t80 -54.64 -65.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -42.54 -52.45 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' A' ' 42' ' ' PRO . 20.6 ttp85 -46.29 -63.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.464 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -57.21 -50.94 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -46.11 -25.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -91.43 -35.13 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -61.6 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -53.95 -41.85 68.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.6 mt -58.39 -59.3 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mt -95.57 133.86 39.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -78.29 164.33 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.96 -59.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -55.8 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -50.49 -23.51 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.5 t -94.62 -33.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ARG . 80.9 mt -69.0 -37.81 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -53.76 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' NE ' ' OE1' ' A' ' 61' ' ' GLU . 12.0 mtt85 -52.06 -61.41 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ARG . 25.5 mt -39.44 -56.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -59.87 3.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.96 -31.17 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -30.32 63.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.64 -2.41 49.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.57 160.0 78.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.1 pt -40.86 -43.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -147.53 127.88 13.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.42 169.26 17.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.79 100.47 5.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.08 -18.82 23.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 3.5 mt-10 -67.94 156.95 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -119.49 161.89 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -40.12 -43.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -63.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -46.86 -56.99 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.44 -49.5 67.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.0 t80 -56.74 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -49.25 -49.12 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -43.24 -59.73 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -61.21 -51.21 69.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.88 -25.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 57' ' ' LEU . 36.4 tptt -92.27 -35.54 13.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -61.4 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 12.3 mm-40 -55.07 -41.39 71.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.9 mt -60.98 -55.01 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.45 144.92 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' ARG . 40.8 m -92.67 167.15 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.0 -67.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -48.69 -54.29 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -51.35 -25.2 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -92.59 -35.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.75 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -72.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' A' ' 61' ' ' GLU . 12.6 mtt85 -46.66 -63.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 39' ' ' ARG . 92.3 mt -39.25 -65.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -44.52 -53.59 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.58 -31.0 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -88.61 -1.51 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.95 12.22 83.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -78.39 156.82 78.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.79 5.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 pt -53.42 -24.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -142.28 129.72 21.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.416 HD11 ' NE ' ' A' ' 56' ' ' ARG . 1.8 mt -91.41 -168.43 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -72.51 87.34 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 56.32 10.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.7 mt-10 -109.19 133.01 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ASP . 14.3 t -85.65 158.66 20.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.87 -43.36 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -63.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -44.12 62.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.18 86.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 4.9 t80 -59.15 -42.65 91.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.5 -56.25 24.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' NE ' HD11 ' A' ' 45' ' ' LEU . 6.2 ttm-85 -38.76 -61.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -58.67 -52.29 66.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.68 -25.05 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' LEU . 14.0 tttt -92.29 -35.91 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 24.8 mt -61.56 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 9.9 mm-40 -52.0 -40.07 60.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.0 mt -60.52 -59.59 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.15 132.57 47.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.19 166.32 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.77 -55.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 29' ' ' ARG . 1.1 tt0 -61.9 -50.03 73.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.56 -29.39 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.411 HG13 ' CD1' ' A' ' 36' ' ' LEU . 46.3 t -88.08 -35.35 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' ARG . 38.8 mt -65.18 -42.69 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' GLU . 5.2 mtt-85 -50.15 -62.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' CD1' HG13 ' A' ' 32' ' ' VAL . 81.8 mt -39.72 -54.76 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -51.16 -44.05 61.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ARG . 38.0 mt-10 -73.22 -19.0 61.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.49 5.17 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 9.91 52.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.78 156.65 74.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.68 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.1 pt -53.11 -26.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -139.42 136.23 34.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -103.4 -172.06 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.28 97.58 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 57.6 7.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 2.7 mt-10 -117.31 152.61 34.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 50' ' ' ASP . 10.3 t -116.57 -158.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -69.92 -44.88 68.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -58.39 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -49.8 -57.23 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.29 -47.85 68.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.4 t80 -58.1 -63.51 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -46.86 -42.06 16.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -50.91 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -58.31 -52.57 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.67 -25.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 12.5 tttt -92.46 -35.84 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.2 mt -62.11 -39.54 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' OE1' ' NH1' ' A' ' 35' ' ' ARG . 52.0 mm-40 -60.91 -30.2 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.62 -54.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.7 mt -107.52 132.15 53.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -77.16 165.08 25.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 1.5 ppt_? -39.68 -57.17 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 48.2 tt0 -55.69 -50.89 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.22 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 6.4 tp10 -54.0 -23.68 14.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.7 t -94.7 -31.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.4 mt -71.44 -37.52 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -55.2 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' ARG . 13.5 mtt85 -42.63 -65.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 94.0 mt -39.06 -58.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -51.47 -54.92 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.68 -12.78 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -94.82 -26.45 16.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.65 32.33 7.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.39 163.05 18.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.62 -22.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt180 -154.57 116.87 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.74 -172.35 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -87.07 77.2 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.21 45.24 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 3.9 mt-10 -118.28 156.62 28.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.408 ' HA ' ' NH1' ' A' ' 44' ' ' ARG . 6.4 t -121.83 162.98 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' HH12 ' A' ' 44' ' ' ARG . 16.5 m-20 -40.51 -36.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -68.43 -64.38 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -49.73 48.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.68 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 5.3 t80 -68.88 -45.88 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.537 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 6.2 mt-30 -54.4 -59.14 5.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 7.7 ttm-85 -38.79 -59.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 1.7 tm? -59.36 -52.28 66.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.63 -25.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 57' ' ' LEU . 15.1 tttt -92.34 -35.84 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 mt -61.7 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.5 mm-40 -51.8 -38.05 54.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.98 -56.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.7 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD13 ' NH1' ' A' ' 35' ' ' ARG . 12.0 mt -104.3 139.53 39.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' ARG . 88.2 p -87.6 160.52 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -37.01 -62.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 3.0 tm0? -48.39 -60.5 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -46.47 -27.68 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 54' ' ' PHE . 44.1 t -89.34 -34.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ARG . 62.5 mt -70.97 -38.45 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -54.83 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' NH1' HD13 ' A' ' 27' ' ' LEU . 26.0 mtt180 -47.84 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 60' ' ' ILE . 85.2 mt -39.67 -57.15 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -47.37 -59.36 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -33.83 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -11.5 59.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.22 3.75 88.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.58 156.72 82.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.78 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.446 HG21 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -51.61 -39.56 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.577 HH12 ' N ' ' A' ' 50' ' ' ASP . 4.5 tpt180 -135.17 129.79 34.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' CD ' ' A' ' 56' ' ' ARG . 6.6 mt -98.71 169.18 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.71 104.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -25.09 14.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -45.81 112.34 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.411 ' N ' ' HB2' ' A' ' 52' ' ' ASP . 4.4 t -75.81 160.5 29.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.577 ' N ' HH12 ' A' ' 44' ' ' ARG . 41.6 t0 -42.12 -56.0 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -36.45 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' HB2' ' N ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -58.15 -59.13 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.39 -49.85 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 3.9 t80 -55.28 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -53.0 -45.17 67.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' CD ' HD12 ' A' ' 45' ' ' LEU . 2.5 ttm-85 -49.55 -58.55 5.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.7 tm? -62.48 -50.97 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.74 -25.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' LEU . 19.6 tttt -92.07 -35.7 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.9 mt -61.19 -46.02 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 62.9 mm-40 -53.96 -40.12 66.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.73 -61.07 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -102.49 127.09 49.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.51 164.2 26.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -41.14 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 1.1 tt0 -57.17 -44.94 84.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.07 -25.56 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.64 -33.67 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' ARG . 73.5 mt -66.9 -38.38 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -45.34 -61.56 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.0 mt -40.49 -52.56 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -56.83 -57.11 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -15.32 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -95.38 -13.45 24.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.18 4.52 86.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -79.87 157.05 74.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -74.99 117.97 5.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 pt -50.3 -36.34 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -138.16 117.18 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 5.0 mp -83.87 -172.05 3.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -78.47 82.08 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.74 55.64 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.6 mt-10 -120.34 111.78 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -73.93 158.15 34.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -40.48 -52.49 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -39.72 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -60.51 -56.37 22.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -41.35 78.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 3.6 t80 -59.67 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -53.29 -32.86 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' CZ ' HD12 ' A' ' 45' ' ' LEU . 35.8 ttp85 -61.1 -60.86 3.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -59.02 -51.43 70.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.27 -25.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 57' ' ' LEU . 18.0 tttt -92.56 -36.3 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . 75.6 mt -60.75 -43.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 56.1 mm-40 -52.58 -24.82 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.0 mt -87.67 -61.21 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.3 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD22 ' CG ' ' A' ' 31' ' ' GLU . 24.7 mt -108.56 124.54 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -81.53 165.66 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -37.17 -67.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -52.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' CG ' HD22 ' A' ' 27' ' ' LEU . 5.5 tp10 -53.88 -25.44 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 36' ' ' LEU . 24.9 t -92.67 -31.32 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' ARG . 17.8 mt -70.55 -40.2 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -52.07 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' NH1' ' CD ' ' A' ' 61' ' ' GLU . 1.6 mtt-85 -55.4 -61.55 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' A' ' 32' ' ' VAL . 65.9 mt -39.04 -59.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -44.69 -58.14 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.71 -37.87 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -1.9 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.51 7.08 72.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.03 156.7 82.06 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.99 117.78 5.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.6 pt -45.95 -43.32 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -140.71 124.58 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' CD1' ' CZ ' ' A' ' 56' ' ' ARG . 5.0 mp -83.56 -172.83 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -90.4 78.24 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.99 52.0 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 52' ' ' ASP . 7.6 mt-10 -139.64 163.21 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.17 -168.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.73 -47.13 83.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -69.93 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 2.8 t0 -43.29 -50.06 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.99 77.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 3.6 t80 -54.76 -52.43 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -56.85 -38.52 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.49 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 20.0 ttp85 -55.58 -59.21 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.7 tm? -58.52 -52.78 64.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.07 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 57' ' ' LEU . 13.6 tptt -92.52 -35.41 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 11.4 mt -61.98 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.414 ' CD ' ' NH1' ' A' ' 35' ' ' ARG . 57.2 mm-40 -53.67 -42.09 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.21 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -100.5 136.97 39.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ARG . 19.7 p -82.45 165.54 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.062 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.85 -67.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -49.08 -48.96 43.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -56.06 -24.44 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 36' ' ' LEU . 53.8 t -94.45 -33.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.0 mt -66.98 -38.24 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -51.79 -67.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' NH1' ' HG3' ' A' ' 61' ' ' GLU . 1.9 mpt_? -52.83 -59.7 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 32' ' ' VAL . 80.2 mt -40.46 -67.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -42.56 -52.74 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -34.61 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.47 -5.95 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 9.35 87.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -77.68 156.43 80.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -41.84 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -135.3 113.71 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.96 -171.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -93.35 75.8 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.78 49.3 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.95 175.84 5.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 p -129.91 -168.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.27 -23.25 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.9 -38.04 12.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.86 -50.88 70.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.83 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.6 t80 -61.34 -63.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -49.84 -34.6 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -57.6 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -60.01 -51.26 70.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.98 -24.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 3.8 tppt? -92.58 -35.53 13.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 89.3 mt -61.96 -45.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 45.4 mm-40 -51.47 -37.32 48.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.45 -60.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -93.09 128.01 38.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -65.95 160.27 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.36 -62.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -41.21 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.31 -23.55 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.63 -33.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.52 -39.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -51.69 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' LEU . 14.6 mtt85 -44.16 -65.68 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 96.2 mt -39.33 -50.55 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -57.28 -60.29 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -39.71 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -23.51 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.26 2.3 60.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -76.62 157.98 81.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.22 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.03 117.82 5.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 44' ' ' ARG . 22.8 pt -47.55 -40.86 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -135.64 116.2 13.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.8 mp -80.32 148.32 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.67 113.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' GLU . . . 88.45 -40.85 3.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -38.93 139.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -94.37 154.86 17.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -49.25 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -40.91 75.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' THR . 1.7 t0 -60.36 -46.8 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.36 -40.29 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 4.8 t80 -68.91 -59.92 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.28 -45.82 62.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -52.64 -58.64 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 1.5 tm? -59.42 -50.14 75.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -48.56 -23.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -92.91 -29.52 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' LEU . 71.1 mt -68.93 -47.34 76.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' CG ' HD11 ' A' ' 57' ' ' LEU . 32.7 mm-40 -50.35 -28.03 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 62' ' ' ILE . 4.2 mm -61.08 -51.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -101.87 111.93 24.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -66.62 167.69 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.85 -67.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -50.28 31.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 24.8 tp10 -54.67 -23.88 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG12 ' CD1' ' A' ' 36' ' ' LEU . 8.4 t -94.88 -32.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.4 mt -69.74 -37.56 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -53.08 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 13.1 mtt85 -55.55 -62.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 98.1 mt -39.8 -44.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -58.54 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.33 -34.83 69.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -66.6 -18.78 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 4.67 83.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.49 158.55 54.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.12 7.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 pt -52.58 -35.08 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -129.45 133.5 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -82.96 -172.61 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -76.48 73.96 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.6 50.75 2.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.44 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 1.8 mt-10 -104.88 164.2 11.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.8 t -116.07 161.01 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.5 m-20 -40.36 -51.51 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.69 -62.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.85 -57.6 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.36 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 4.7 t80 -57.8 -55.43 34.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -55.95 -36.94 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -55.57 -58.9 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 36' ' ' LEU . 1.6 tm? -61.59 -50.5 72.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.86 -24.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 2.5 ttpt -92.4 -35.28 13.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 67.6 mt -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.2 mt -64.14 -48.76 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.02 131.09 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' ARG . 39.2 m -83.42 167.6 17.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.8 -62.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -54.52 -46.76 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -57.51 -24.57 56.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 t -94.42 -32.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' ARG . 23.8 mt -68.69 -37.77 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' ARG . 14.0 mtt85 -43.04 -63.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.241 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 39' ' ' ARG . 22.4 mt -39.7 -66.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -46.91 -51.69 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.83 -21.65 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -90.95 -21.38 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 17.8 37.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -92.47 157.65 39.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.7 5.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.5 pt -54.32 -38.25 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' NH1' ' HA ' ' A' ' 49' ' ' THR . 2.4 tpt180 -138.59 111.33 7.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.49 -171.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -83.81 72.66 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.6 50.83 0.68 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -115.97 165.98 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.405 ' HA ' ' NH1' ' A' ' 44' ' ' ARG . 14.9 t -130.15 163.95 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -46.8 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -60.48 -61.52 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -55.41 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.96 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 4.0 t80 -59.07 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.76 -54.09 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.05 -60.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -60.79 -51.12 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -45.47 -25.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' LEU . 3.9 tttt -92.3 -36.17 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 52.8 mt -60.75 -44.16 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' CG ' HD11 ' A' ' 57' ' ' LEU . 40.0 mm-40 -55.47 -39.22 70.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.29 -46.69 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 5.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 26' ' ' THR . 32.2 mt -142.34 111.25 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' ARG . 28.5 m -69.85 161.78 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.81 -57.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -46.54 76.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -58.09 -26.41 62.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 36' ' ' LEU . 69.0 t -92.3 -32.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.504 ' CG2' ' NH1' ' A' ' 37' ' ' ARG . 57.7 mt -67.79 -40.22 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -41.88 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 64.6 mt -39.8 -65.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.504 ' NH1' ' CG2' ' A' ' 33' ' ' ILE . 7.4 mtt85 -46.08 -52.77 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.74 -29.67 64.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -18.04 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.17 6.51 63.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -76.48 156.9 83.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.47 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 44' ' ' ARG . 35.7 pt -51.35 -40.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' N ' HG13 ' A' ' 43' ' ' ILE . 1.6 tpt85 -138.01 115.21 10.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mt -74.57 -170.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.78 70.48 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.16 53.32 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.42 166.25 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.248 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -130.17 -178.73 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -47.33 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -62.57 -62.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.39 -56.98 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.76 59.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 27.3 t80 -59.77 -65.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -42.24 -46.81 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -46.99 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 1.6 tm? -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.78 -24.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.3 tttt -92.34 -35.56 13.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -61.38 -45.49 98.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.38 -37.25 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.34 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.34 111.14 23.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -66.97 167.63 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -64.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -45.71 49.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -58.79 -24.28 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 36' ' ' LEU . 31.9 t -94.84 -33.18 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.76 -36.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -54.89 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' NE ' ' OE1' ' A' ' 61' ' ' GLU . 12.5 mtt85 -50.54 -62.35 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 32' ' ' VAL . 92.3 mt -39.54 -65.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -44.71 -54.14 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -37.88 64.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -17.28 59.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.37 10.33 65.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.14 157.11 68.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -75.0 119.43 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 44' ' ' ARG . 21.0 pt -54.3 -35.52 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' ILE . 2.9 tpt180 -135.45 106.31 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.8 mp -71.44 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -168.84 102.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.73 -28.97 6.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -42.66 104.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.1 t -76.28 169.21 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -39.31 -38.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -65.36 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -45.18 -53.35 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.27 64.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 6.4 t80 -59.62 -42.19 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -59.07 -58.03 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -39.17 -63.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -54.95 -49.95 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.16 -35.46 13.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' LEU . 42.0 mt -61.09 -46.23 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 13.6 mm-40 -53.52 -44.56 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.8 mt -58.17 -57.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mt -134.83 135.61 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -84.92 166.54 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' HG2' ' CD1' ' A' ' 33' ' ' ILE . 14.1 ttm180 -39.04 -61.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.7 -46.86 70.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.26 -24.78 57.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.03 -32.86 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 29' ' ' ARG . 56.5 mt -69.76 -38.03 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -45.13 -65.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 95.4 mt -39.88 -54.91 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -54.52 -59.95 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -43.35 63.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -36.01 79.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.65 44.26 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -115.31 163.0 21.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.543 1.812 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.409 ' CG2' HG21 ' A' ' 33' ' ' ILE . 1.2 pt -58.6 -31.23 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.73 94.94 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.52 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -156.27 81.04 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.32 18.37 53.14 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.27 121.2 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.3 p -70.12 -168.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -73.69 -24.79 59.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -31.98 15.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.94 -43.86 74.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -27.91 61.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 15.0 t80 -71.09 -67.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -41.16 -31.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -65.88 -59.6 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -61.57 -51.0 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.81 -25.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -92.18 -35.63 13.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.1 mt -61.79 -46.43 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' CG ' HD13 ' A' ' 57' ' ' LEU . 25.2 mm-40 -50.11 -31.8 14.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.73 -57.51 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.87 166.26 25.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -148.52 -58.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.48 148.87 14.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -146.39 83.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -156.57 -59.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.71 147.11 11.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -145.73 -60.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.9 80.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 t -168.72 162.18 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -43.68 130.51 3.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -39.97 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 p 41.5 42.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -160.69 125.73 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER 74.41 158.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -145.65 105.47 4.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 63.22 127.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -178.89 -161.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.91 46.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.05 97.06 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 2.8 pt-20 -111.8 7.38 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -57.01 -165.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 57.25 163.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HD2' ' CD2' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -74.99 -167.19 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -47.63 103.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 p -92.95 -35.11 13.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -107.7 118.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -73.42 167.62 20.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -39.73 -55.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 13.9 tt0 -57.93 -45.68 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.95 -24.54 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 ' CB ' ' A' ' 57' ' ' LEU . 3.3 t -91.71 -31.55 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 37' ' ' ARG . 41.3 mt -70.07 -44.77 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.11 -62.75 1.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.443 ' NE ' ' OE1' ' A' ' 61' ' ' GLU . 11.1 mtt85 -58.26 -62.62 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 90.4 mt -40.49 -46.84 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.49 -62.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.99 -17.34 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -14.89 28.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.33 9.89 81.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.84 156.63 74.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.3 pt -58.38 -23.27 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 4.5 tpt180 -153.1 112.5 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mt -74.4 -171.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -86.93 67.62 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.67 51.46 0.34 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 mt-10 -121.59 164.23 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -130.12 177.03 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.27 -46.66 55.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -61.82 -62.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -55.02 7.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.17 81.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 10.2 t80 -56.63 -60.83 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -50.93 -48.12 60.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -47.99 -59.62 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' CB ' HG12 ' A' ' 32' ' ' VAL . 1.6 tm? -62.59 -50.6 70.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.66 -25.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' LEU . 15.2 tttt -92.13 -35.88 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' LEU . 37.0 mt -60.99 -45.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 14.9 mm-40 -53.99 -27.32 30.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.8 mt -76.58 -58.48 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -53.83 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 m -116.75 92.55 38.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.443 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -163.71 80.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t 40.85 87.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -162.22 89.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.08 141.88 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.09 144.4 4.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.96 116.85 31.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.21 156.91 5.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 171.27 18.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.9 p -91.51 82.99 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t 65.97 151.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.09 157.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p 178.46 166.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.2 176.31 45.94 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.27 146.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.64 158.4 11.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.89 -171.17 34.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 p -110.91 116.28 30.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 167.91 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 67.1 -177.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 59.98 101.5 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 56.78 4.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 p -111.29 159.95 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt 64.11 94.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -130.33 168.94 16.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -148.4 106.96 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.84 167.9 21.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.11 164.08 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.97 -159.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 63.99 170.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 40.33 30.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -48.47 171.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.94 157.63 35.52 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.43 1.753 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.411 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 3.3 mtt -59.55 120.5 9.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p -110.28 -33.46 6.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.32 136.22 47.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -76.03 160.98 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.06 -57.62 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -48.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.57 -23.58 41.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 36' ' ' LEU . 71.9 t -94.71 -30.44 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.1 mt -73.45 -37.74 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -53.68 -70.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' HD3' ' CD1' ' A' ' 57' ' ' LEU . 12.6 mtt85 -48.86 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 32' ' ' VAL . 92.5 mt -39.26 -52.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -59.24 -59.33 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.21 -30.97 29.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -20.3 34.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.58 7.85 62.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.8 mm-40 -78.35 156.71 78.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 pt -62.61 -16.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.42 105.23 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -78.97 -177.85 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -53.21 92.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.98 58.53 13.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -102.62 168.71 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -130.1 159.91 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 54' ' ' PHE . 6.7 m-20 -40.34 -45.75 2.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -53.78 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -29.82 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 10.8 t80 -75.36 -55.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -53.91 -46.46 71.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -50.27 -58.42 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.51 -50.82 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -24.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 57' ' ' LEU . 17.7 tttt -92.19 -35.71 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.0 mt -61.45 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' CG ' HD11 ' A' ' 57' ' ' LEU . 26.7 mm-40 -51.89 -38.49 56.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.98 -54.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -46.09 -66.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.9 m -51.28 145.47 13.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.3 Cg_endo -74.98 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 62.05 115.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.9 t 53.31 100.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -131.85 83.8 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.05 129.19 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 176.2 86.37 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.11 148.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.23 158.02 14.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.33 35.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.3 t -122.97 113.33 18.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.7 t -103.57 96.21 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -139.42 -58.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m 64.78 168.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.0 -143.88 8.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.91 133.32 8.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.92 103.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.71 -177.38 5.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -157.27 79.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t 59.31 171.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.9 p 174.11 -61.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -175.09 109.48 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 p 42.55 38.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.49 104.9 6.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -121.67 162.63 20.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 -140.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 63.45 148.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.18 154.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.28 -172.14 4.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 79.2 171.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 39.22 32.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -55.79 159.46 3.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 156.89 89.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 170.48 20.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -41.67 143.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -136.41 -47.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.3 mt -97.9 136.92 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 m -82.05 164.94 21.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.478 HH11 ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -40.41 -55.87 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' NE2' HH11 ' A' ' 29' ' ' ARG . 1.0 OUTLIER -59.1 -43.64 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 12.4 tp10 -60.41 -24.76 65.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 36' ' ' LEU . 40.9 t -94.42 -32.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.78 -38.73 80.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' A' ' 61' ' ' GLU . 1.3 mpt_? -51.57 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' HG11 ' A' ' 32' ' ' VAL . 69.4 mt -40.6 -61.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -47.79 -53.93 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.98 -26.11 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -12.21 42.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 8.41 83.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.28 156.53 81.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.445 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 117.94 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 pt -57.45 -29.13 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 105.23 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.4 mp -72.18 -78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -154.5 90.82 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.45 29.54 74.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.3 113.05 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -74.67 162.05 29.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 23.1 m-20 -40.96 -46.94 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -55.51 32.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -54.59 41.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.62 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 6.0 t80 -66.22 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -50.41 -36.03 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 42' ' ' PRO . 40.2 ttp85 -58.7 -62.2 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -58.26 -49.89 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' LEU . 12.6 ttpt -92.31 -35.41 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . 33.4 mt -61.33 -45.69 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' CG ' HD13 ' A' ' 57' ' ' LEU . 55.5 mm-40 -51.09 -30.15 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.0 mt -79.26 -51.34 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' THR . 0.2 OUTLIER -53.45 -68.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 2.5 m -38.45 146.58 0.29 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.4 Cg_endo -75.01 -63.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.492 1.786 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 66.92 79.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 p 42.4 51.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.46 149.44 21.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.47 84.34 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.4 -141.37 3.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t -108.88 87.77 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.744 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.18 -146.58 4.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' CG ' ' HG3' ' A' ' 65' ' ' PRO . 18.3 Cg_endo -75.02 -33.99 4.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t 51.68 96.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.96 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.19 77.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.71 158.68 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.58 162.87 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.55 176.63 33.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 p -176.19 153.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -114.34 117.09 30.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.74 168.89 36.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -139.12 62.12 1.54 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 0.774 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -129.5 168.55 16.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.47 -61.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 59.48 94.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.513 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 -44.78 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.806 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.72 178.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -160.38 123.18 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 163.4 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.03 -140.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 46.89 82.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -99.58 167.58 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 177.72 91.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.67 56.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.75 36.69 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 170.25 8.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.48 155.68 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -166.22 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 55.8 mtp -67.59 77.52 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p -40.72 -33.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.33 140.42 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' ARG . 90.9 p -87.99 164.22 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -36.95 -63.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.97 -52.25 35.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.65 -23.87 19.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -94.67 -26.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' ARG . 31.5 mt -77.16 -38.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.89 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' ARG . 12.9 mtt85 -45.62 -65.27 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 65.8 mt -39.63 -44.39 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -69.21 -53.11 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -14.01 20.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -98.9 -16.26 18.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 -0.41 76.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -76.73 157.3 82.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.0 123.83 8.17 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.7 pt -65.71 -17.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt85 -145.23 103.58 3.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -79.87 -171.39 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.01 93.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.62 57.64 15.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.1 mt-10 -107.28 121.12 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 t -80.45 160.28 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.43 -52.76 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -50.22 72.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -57.11 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -44.19 79.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 6.3 t80 -57.29 -55.93 28.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -52.93 -57.97 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -39.06 -59.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 1.6 tm? -60.96 -51.07 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.21 -24.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' LEU . 39.0 tptt -92.43 -34.92 13.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -62.1 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' CG ' HD11 ' A' ' 57' ' ' LEU . 34.9 mm-40 -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.39 -57.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.363 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mt -40.47 -62.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -48.85 146.63 5.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.4 Cg_endo -75.0 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 50.69 83.12 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.6 p -174.29 135.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -134.68 148.03 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -163.53 165.53 23.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.83 142.39 45.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -72.53 162.03 30.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.76 91.23 0.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 151.22 39.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.41 115.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.8 t -71.97 92.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -173.78 148.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m 60.51 162.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.76 106.82 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -168.21 173.75 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -57.63 -63.01 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.93 80.52 1.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.3 p -108.52 -179.14 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.392 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t 41.69 61.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -159.21 -157.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -150.58 99.92 3.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -35.96 2.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 39.01 30.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 12' ' ' PRO . 5.1 tp -166.01 128.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -39.07 115.98 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.41 122.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -40.6 154.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -155.23 -153.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.61 49.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.15 95.17 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.229 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 2.6 pt-20 -114.78 24.37 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -164.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.49 154.32 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -167.53 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.811 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.47 100.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p -89.0 -38.76 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.83 118.32 36.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' ARG . 53.7 m -69.68 164.78 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.94 -64.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.65 -53.72 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -51.31 -24.74 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.8 -35.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.03 -38.7 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.74 -72.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' NE ' ' OE2' ' A' ' 61' ' ' GLU . 13.0 mtt85 -47.25 -63.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 80.3 mt -39.79 -57.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -54.6 -45.31 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -75.1 -1.77 24.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -107.2 -30.54 8.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.55 35.4 4.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.82 165.49 13.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.77 5.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.8 pt -56.72 -22.19 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -153.96 118.76 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -82.61 -177.79 6.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.61 100.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.82 52.97 44.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.8 OUTLIER -107.19 127.49 53.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' ASP . 3.3 t -81.13 156.26 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.0 OUTLIER -40.44 -55.6 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -54.52 -41.47 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.52 -57.13 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.34 76.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.544 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.8 t80 -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -47.2 -50.89 19.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -43.1 -63.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -56.72 -50.54 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.87 -25.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' LEU . 16.3 tttt -92.22 -35.71 13.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.7 mt -61.11 -45.47 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.0 mm-40 -52.85 -20.38 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.9 mt -86.5 -59.86 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -52.94 -44.16 66.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 2.5 m -43.98 146.46 1.07 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.2 Cg_endo -75.02 -60.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 61.71 68.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.9 t 42.77 74.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -41.69 124.48 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 166.19 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -138.32 125.4 3.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 t -142.52 168.84 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.49 97.31 0.61 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.8 34.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 t -112.09 96.53 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.062 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 p -174.57 134.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -162.9 -58.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.986 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.23 157.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.37 144.61 13.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -179.24 143.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 p -165.32 154.78 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.43 -165.19 38.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m 61.75 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 110.441 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -145.66 118.25 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.2 159.05 44.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -95.74 164.33 19.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -82.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.8 t 42.78 86.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.03 -153.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -151.41 108.96 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -145.0 103.88 3.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -109.85 94.23 4.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 56.9 170.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.15 64.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 154.27 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 62.01 26.82 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mp -48.02 155.15 0.9 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 6.0 ttt -51.19 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -132.38 43.92 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.8 mt -151.86 111.1 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.8 m -72.93 163.03 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 33' ' ' ILE . 20.4 mtt85 -39.02 -57.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -37.98 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . 4.4 tp10 -65.68 -29.65 70.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.2 t -89.86 -26.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.1 mt -77.12 -44.31 31.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -47.62 -69.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.464 ' HD3' ' CD1' ' A' ' 57' ' ' LEU . 30.0 mtt85 -45.64 -67.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' ARG . 58.6 mt -38.7 -48.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -54.63 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.07 -14.94 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -18.24 19.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.61 71.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.22 157.08 81.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.05 117.65 4.97 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 pt -55.17 -34.73 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tpt180 -135.11 108.83 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -77.29 -172.48 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -87.1 78.92 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.81 56.69 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 16.8 mt-10 -126.24 163.27 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 50' ' ' ASP . 10.1 t -130.23 -168.05 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.447 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.6 OUTLIER -61.57 -46.99 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.18 -62.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.22 -60.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.45 -55.66 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 20.9 t80 -54.64 -65.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -42.54 -52.45 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' A' ' 42' ' ' PRO . 20.6 ttp85 -46.29 -63.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.464 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -57.21 -50.94 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -46.11 -25.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -91.43 -35.13 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -61.6 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -53.95 -41.85 68.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.6 mt -58.39 -59.3 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -40.15 -63.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 23.1 m -58.24 143.79 78.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.3 Cg_endo -74.99 -36.58 2.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 64.05 129.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 m -59.54 -25.0 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -75.6 148.19 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -133.05 123.12 25.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.23 159.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.77 160.05 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 143.6 95.5 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.8 16.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.2 p -175.14 157.07 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 m -131.14 154.01 48.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -179.9 125.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.759 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -133.95 163.81 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.28 153.49 24.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -174.85 113.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -108.4 162.01 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.16 98.24 0.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 m -129.21 105.57 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 110.41 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.13 101.96 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.13 89.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -178.79 100.62 0.21 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -75.01 -41.42 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.551 1.816 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 12' ' ' PRO . 7.2 p 40.22 57.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -150.27 118.03 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 58.55 170.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.5 mt -141.89 102.04 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -165.78 94.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.93 158.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.7 -164.52 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.16 56.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -38.94 -34.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 149.2 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.0 164.3 21.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -175.22 2.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.559 ' HG2' ' CD2' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -67.07 104.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 p -78.47 -53.79 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mt -95.57 133.86 39.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -78.29 164.33 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.96 -59.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -55.8 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -50.49 -23.51 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.5 t -94.62 -33.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ARG . 80.9 mt -69.0 -37.81 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -53.76 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' NE ' ' OE1' ' A' ' 61' ' ' GLU . 12.0 mtt85 -52.06 -61.41 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ARG . 25.5 mt -39.44 -56.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -59.87 3.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.96 -31.17 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -30.32 63.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.64 -2.41 49.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.57 160.0 78.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.1 pt -40.86 -43.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -147.53 127.88 13.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.42 169.26 17.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.79 100.47 5.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.08 -18.82 23.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 3.5 mt-10 -67.94 156.95 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -119.49 161.89 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -40.12 -43.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -63.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -46.86 -56.99 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.44 -49.5 67.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.0 t80 -56.74 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -49.25 -49.12 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -43.24 -59.73 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -61.21 -51.21 69.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.88 -25.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 57' ' ' LEU . 36.4 tptt -92.27 -35.54 13.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -61.4 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 12.3 mm-40 -55.07 -41.39 71.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.9 mt -60.98 -55.01 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt -44.73 -64.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.481 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 22.5 m -42.55 144.5 0.97 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.2 Cg_endo -75.05 -162.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.08 135.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t 41.11 73.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 177.55 149.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -98.18 62.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.19 -96.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 p 58.34 165.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.29 -150.61 26.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.21 10.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 t -129.34 -58.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.4 t -88.43 152.59 21.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 p -173.49 163.54 4.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.0 p 179.35 169.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.94 -149.44 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p 178.74 140.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.968 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p -169.52 169.63 8.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.71 145.78 4.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -171.34 113.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.743 . . . . 0.0 110.413 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.74 140.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.936 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 t -174.42 113.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -163.63 85.8 1.28 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.86 6.0 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -173.82 137.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -137.45 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.39 82.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.84 101.26 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -175.52 157.61 2.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -84.23 143.59 29.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.7 105.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -130.26 27.61 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.37 -32.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' GLU . 7.5 pttt 46.7 -171.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.89 160.26 35.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 170.41 20.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -38.59 138.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p -131.31 -48.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.45 144.92 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' ARG . 40.8 m -92.67 167.15 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.0 -67.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -48.69 -54.29 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -51.35 -25.2 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -92.59 -35.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.75 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -72.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' A' ' 61' ' ' GLU . 12.6 mtt85 -46.66 -63.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 39' ' ' ARG . 92.3 mt -39.25 -65.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -44.52 -53.59 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.58 -31.0 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -88.61 -1.51 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.95 12.22 83.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -78.39 156.82 78.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.79 5.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 pt -53.42 -24.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -142.28 129.72 21.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.416 HD11 ' NE ' ' A' ' 56' ' ' ARG . 1.8 mt -91.41 -168.43 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -72.51 87.34 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 56.32 10.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.7 mt-10 -109.19 133.01 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ASP . 14.3 t -85.65 158.66 20.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.87 -43.36 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -63.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -44.12 62.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.18 86.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 4.9 t80 -59.15 -42.65 91.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.5 -56.25 24.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' NE ' HD11 ' A' ' 45' ' ' LEU . 6.2 ttm-85 -38.76 -61.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -58.67 -52.29 66.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.68 -25.05 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' LEU . 14.0 tttt -92.29 -35.91 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 24.8 mt -61.56 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 9.9 mm-40 -52.0 -40.07 60.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.0 mt -60.52 -59.59 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 mt -40.89 -66.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -38.32 146.58 0.29 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.3 Cg_endo -74.97 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -38.99 119.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 m -72.8 83.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -62.61 146.49 51.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.39 176.41 9.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.79 100.89 1.99 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -150.99 158.0 43.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.33 95.94 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 71.03 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.2 p -124.13 147.02 48.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.01 -58.07 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 t -175.15 132.85 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -178.15 166.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.29 116.01 1.01 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -174.11 118.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.953 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -176.01 168.49 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.02 83.95 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.11 108.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -171.54 105.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.2 p -177.16 124.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -163.61 93.8 1.08 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 111.034 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t 42.89 90.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.21 66.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -169.02 159.16 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.85 125.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -132.25 134.72 45.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -150.73 155.93 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.44 -169.6 3.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 75.62 173.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 38.99 34.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.97 164.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -57.5 159.06 9.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HD2' ' CD2' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -74.99 -174.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.547 ' HG2' ' CD2' ' A' ' 54' ' ' PHE . 1.4 mtm -61.31 142.89 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.7 p -126.23 -42.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.15 132.57 47.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.19 166.32 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.77 -55.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 29' ' ' ARG . 1.1 tt0 -61.9 -50.03 73.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.56 -29.39 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.411 HG13 ' CD1' ' A' ' 36' ' ' LEU . 46.3 t -88.08 -35.35 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' ARG . 38.8 mt -65.18 -42.69 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' GLU . 5.2 mtt-85 -50.15 -62.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' CD1' HG13 ' A' ' 32' ' ' VAL . 81.8 mt -39.72 -54.76 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -51.16 -44.05 61.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ARG . 38.0 mt-10 -73.22 -19.0 61.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.49 5.17 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 9.91 52.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.78 156.65 74.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.68 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.1 pt -53.11 -26.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -139.42 136.23 34.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -103.4 -172.06 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.28 97.58 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 57.6 7.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 2.7 mt-10 -117.31 152.61 34.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 50' ' ' ASP . 10.3 t -116.57 -158.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -69.92 -44.88 68.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.01 -58.39 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -49.8 -57.23 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.29 -47.85 68.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.4 t80 -58.1 -63.51 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -46.86 -42.06 16.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -50.91 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -58.31 -52.57 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.67 -25.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 12.5 tttt -92.46 -35.84 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.2 mt -62.11 -39.54 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' OE1' ' NH1' ' A' ' 35' ' ' ARG . 52.0 mm-40 -60.91 -30.2 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.62 -54.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.7 mt -51.83 -86.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.49 148.17 0.25 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.472 1.775 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 53.97 87.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 p -169.84 138.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -149.43 142.19 24.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.04 164.23 9.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.33 -164.72 28.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -149.74 149.12 30.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 0.779 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.69 97.23 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.53 25.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.37 123.95 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.6 m -44.33 120.97 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -179.92 170.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.33 167.8 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.06 177.27 41.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 p -170.48 168.87 7.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.749 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -177.89 166.36 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.23 139.55 3.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -156.01 136.9 13.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.413 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.71 131.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 p 177.16 126.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -173.01 100.02 0.34 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -88.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.0 t 40.64 89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 pp -165.83 100.46 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -176.12 90.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.69 101.62 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -146.78 104.64 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -175.33 158.79 2.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.53 56.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -170.08 52.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.4 39.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 140.74 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 26' ' ' THR . 0.7 OUTLIER -137.17 160.5 65.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 75.05 3.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.442 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER 47.33 95.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 9.6 p -98.81 -31.22 11.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.7 mt -107.52 132.15 53.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -77.16 165.08 25.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 1.5 ppt_? -39.68 -57.17 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 48.2 tt0 -55.69 -50.89 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.22 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 6.4 tp10 -54.0 -23.68 14.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.7 t -94.7 -31.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 35.4 mt -71.44 -37.52 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -55.2 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' ARG . 13.5 mtt85 -42.63 -65.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 94.0 mt -39.06 -58.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -51.47 -54.92 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.68 -12.78 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -94.82 -26.45 16.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.65 32.33 7.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.39 163.05 18.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.62 -22.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt180 -154.57 116.87 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.74 -172.35 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -87.07 77.2 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.21 45.24 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 3.9 mt-10 -118.28 156.62 28.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.408 ' HA ' ' NH1' ' A' ' 44' ' ' ARG . 6.4 t -121.83 162.98 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 16.5 m-20 -40.51 -36.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -68.43 -64.38 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -49.73 48.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.68 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 5.3 t80 -68.88 -45.88 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.537 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 6.2 mt-30 -54.4 -59.14 5.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 7.7 ttm-85 -38.79 -59.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 1.7 tm? -59.36 -52.28 66.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.63 -25.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 57' ' ' LEU . 15.1 tttt -92.34 -35.84 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 mt -61.7 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.5 mm-40 -51.8 -38.05 54.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.98 -56.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -58.23 -43.9 87.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.435 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 23.6 m -59.07 143.32 84.47 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.435 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.3 Cg_endo -75.0 -163.38 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' PRO . 1.2 mt-10 39.0 80.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.5 t -138.23 104.65 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -45.1 131.87 7.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -45.71 144.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.97 -128.58 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -124.74 -63.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.1 157.25 8.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.3 6.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.4 m 59.09 154.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 p -179.05 85.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 178.83 159.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.964 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -170.91 167.43 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.33 142.57 3.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -175.84 166.82 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.35 147.79 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.31 156.78 10.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 p -116.63 57.48 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.427 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.1 p -173.64 133.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -171.21 89.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -163.51 99.78 0.98 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.69 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.8 p 43.17 45.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.74 70.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.69 90.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.54 122.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -172.14 138.56 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.32 174.27 15.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.88 68.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -173.86 60.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -99.77 34.68 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -86.2 138.64 31.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.2 164.16 22.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.02 6.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.34 95.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.7 p -77.19 -40.65 44.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD13 ' NH1' ' A' ' 35' ' ' ARG . 12.0 mt -104.3 139.53 39.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' ARG . 88.2 p -87.6 160.52 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -37.01 -62.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 3.0 tm0? -48.39 -60.5 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -46.47 -27.68 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 54' ' ' PHE . 44.1 t -89.34 -34.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ARG . 62.5 mt -70.97 -38.45 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -54.83 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' NH1' HD13 ' A' ' 27' ' ' LEU . 26.0 mtt180 -47.84 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 60' ' ' ILE . 85.2 mt -39.67 -57.15 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -47.37 -59.36 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -33.83 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' NH1' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -77.32 -11.5 59.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.22 3.75 88.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.58 156.72 82.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.78 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.446 HG21 ' CG2' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -51.61 -39.56 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.577 HH12 ' N ' ' A' ' 50' ' ' ASP . 4.5 tpt180 -135.17 129.79 34.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' CD ' ' A' ' 56' ' ' ARG . 6.6 mt -98.71 169.18 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.71 104.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -25.09 14.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -45.81 112.34 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.411 ' N ' ' HB2' ' A' ' 52' ' ' ASP . 4.4 t -75.81 160.5 29.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.577 ' N ' HH12 ' A' ' 44' ' ' ARG . 41.6 t0 -42.12 -56.0 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -36.45 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' HB2' ' N ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -58.15 -59.13 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.39 -49.85 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 3.9 t80 -55.28 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -53.0 -45.17 67.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' CD ' HD12 ' A' ' 45' ' ' LEU . 2.5 ttm-85 -49.55 -58.55 5.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.7 tm? -62.48 -50.97 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.74 -25.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 57' ' ' LEU . 19.6 tttt -92.07 -35.7 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.9 mt -61.19 -46.02 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 62.9 mm-40 -53.96 -40.12 66.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.73 -61.07 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' THR . 2.1 mt -42.4 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 64' ' ' THR . 13.6 t -38.1 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 63' ' ' LEU . 18.5 Cg_endo -74.96 -32.71 5.21 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.32 93.5 3.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' CG2' HG22 ' A' ' 64' ' ' THR . 99.3 t -137.68 -69.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -172.14 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.96 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.52 93.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 p -159.94 109.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 109.979 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -43.23 102.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 61.14 5.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.771 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.0 t -87.1 167.4 14.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 m 61.12 149.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -176.28 150.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.61 164.71 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.52 -173.12 44.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.36 -58.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.49 117.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.64 -105.59 0.34 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.7 p -119.52 91.24 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 0.807 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.69 85.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -176.38 -73.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' SER . 10.5 p-10 -40.52 101.02 0.23 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.81 5.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 p -95.35 142.66 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -139.45 69.56 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -134.25 148.28 50.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.35 -140.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 55.27 98.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.05 134.71 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' GLU . . . -175.32 -175.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER 85.79 79.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -46.88 -24.79 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -157.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 62.01 151.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' LEU . 18.5 Cg_endo -75.0 -165.5 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.58 112.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -101.31 -39.95 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -102.49 127.09 49.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.51 164.2 26.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -41.14 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 1.1 tt0 -57.17 -44.94 84.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.07 -25.56 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.64 -33.67 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' ARG . 73.5 mt -66.9 -38.38 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -45.34 -61.56 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.0 mt -40.49 -52.56 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -56.83 -57.11 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -15.32 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -95.38 -13.45 24.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.18 4.52 86.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -79.87 157.05 74.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -74.99 117.97 5.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 pt -50.3 -36.34 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -138.16 117.18 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 5.0 mp -83.87 -172.05 3.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -78.47 82.08 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.74 55.64 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.6 mt-10 -120.34 111.78 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -73.93 158.15 34.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -40.48 -52.49 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -39.72 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -60.51 -56.37 22.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -41.35 78.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 3.6 t80 -59.67 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -53.29 -32.86 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' CZ ' HD12 ' A' ' 45' ' ' LEU . 35.8 ttp85 -61.1 -60.86 3.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -59.02 -51.43 70.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.27 -25.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 57' ' ' LEU . 18.0 tttt -92.56 -36.3 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . 75.6 mt -60.75 -43.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 56.1 mm-40 -52.58 -24.82 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.0 mt -87.67 -61.21 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.3 mt -41.18 -47.1 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -39.42 146.46 0.36 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.417 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 64' ' ' THR . 18.1 Cg_endo -75.01 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 73.74 56.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.7 t 62.92 137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 4.2 p-10 -175.73 130.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.52 93.94 5.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -166.4 78.73 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 p -64.78 87.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 0.724 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.33 89.3 0.56 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.88 17.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.9 t -117.42 -50.55 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.19 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 61.51 118.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 p -172.77 126.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.24 150.82 7.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -178.34 154.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.87 161.14 2.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.85 130.89 1.25 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m -133.49 151.31 51.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 t -110.65 149.02 31.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.65 132.88 52.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -155.71 155.94 30.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.509 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.77 178.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mt 64.31 127.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.28 172.29 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.59 101.23 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.8 169.97 8.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.01 179.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -172.74 147.77 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -158.63 55.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.25 36.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.46 162.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.36 162.65 31.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.39 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.448 1.762 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 113.55 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -98.01 -42.72 7.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD22 ' CG ' ' A' ' 31' ' ' GLU . 24.7 mt -108.56 124.54 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -81.53 165.66 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -37.17 -67.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -52.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' CG ' HD22 ' A' ' 27' ' ' LEU . 5.5 tp10 -53.88 -25.44 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 36' ' ' LEU . 24.9 t -92.67 -31.32 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' ARG . 17.8 mt -70.55 -40.2 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -52.07 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' NH1' ' CD ' ' A' ' 61' ' ' GLU . 1.6 mtt-85 -55.4 -61.55 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' A' ' 32' ' ' VAL . 65.9 mt -39.04 -59.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -44.69 -58.14 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.71 -37.87 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -1.9 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.51 7.08 72.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.03 156.7 82.06 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.99 117.78 5.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.6 pt -45.95 -43.32 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -140.71 124.58 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' CD1' ' CZ ' ' A' ' 56' ' ' ARG . 5.0 mp -83.56 -172.83 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -90.4 78.24 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.99 52.0 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 52' ' ' ASP . 7.6 mt-10 -139.64 163.21 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.17 -168.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.73 -47.13 83.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -69.93 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 2.8 t0 -43.29 -50.06 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.99 77.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 3.6 t80 -54.76 -52.43 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -56.85 -38.52 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.49 ' CZ ' ' CD1' ' A' ' 45' ' ' LEU . 20.0 ttp85 -55.58 -59.21 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.7 tm? -58.52 -52.78 64.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.07 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 57' ' ' LEU . 13.6 tptt -92.52 -35.41 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 11.4 mt -61.98 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' CD ' ' NH1' ' A' ' 35' ' ' ARG . 57.2 mm-40 -53.67 -42.09 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.21 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -47.59 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.7 m -45.76 145.56 2.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.4 Cg_endo -75.04 -60.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.15 112.87 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.9 p -166.9 124.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.7 94.54 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 110.3 10.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.56 107.78 3.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.86 166.45 19.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.73 -146.54 4.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.41 29.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.2 p -162.26 95.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t 58.94 81.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -166.29 164.52 17.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.958 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m 63.15 138.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.5 112.99 2.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -179.88 155.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.744 . . . . 0.0 110.021 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 176.1 143.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.34 170.75 34.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -167.07 149.41 6.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 110.401 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.02 156.17 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p 179.41 161.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -173.46 99.91 0.32 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -40.01 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 14' ' ' LEU . 2.2 p 45.25 -170.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -172.33 129.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -159.47 102.07 1.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -171.51 122.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.53 136.04 10.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -134.56 178.03 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.96 84.17 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.61 173.81 5.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 40.5 36.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -50.02 166.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.44 155.5 36.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.03 6.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.454 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -51.23 143.47 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -130.72 -50.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -100.5 136.97 39.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ARG . 19.7 p -82.45 165.54 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.062 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.85 -67.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -49.08 -48.96 43.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -56.06 -24.44 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 36' ' ' LEU . 53.8 t -94.45 -33.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.0 mt -66.98 -38.24 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -51.79 -67.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' NH1' ' HG3' ' A' ' 61' ' ' GLU . 1.9 mpt_? -52.83 -59.7 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 32' ' ' VAL . 80.2 mt -40.46 -67.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -42.56 -52.74 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -34.61 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' CZ ' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER -83.47 -5.95 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 9.35 87.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -77.68 156.43 80.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -41.84 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -135.3 113.71 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.96 -171.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -93.35 75.8 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.78 49.3 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.95 175.84 5.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 p -129.91 -168.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.27 -23.25 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.9 -38.04 12.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.86 -50.88 70.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.83 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.6 t80 -61.34 -63.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -49.84 -34.6 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -57.6 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -60.01 -51.26 70.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.98 -24.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 3.8 tppt? -92.58 -35.53 13.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 89.3 mt -61.96 -45.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 45.4 mm-40 -51.47 -37.32 48.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.45 -60.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' THR . 22.7 mt -44.43 -84.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.464 HG21 ' CZ ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -38.41 147.94 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 39.26 81.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -172.12 60.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -88.23 104.93 17.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.242 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -145.16 131.22 19.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -45.46 142.94 3.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.74 -58.79 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.47 157.28 7.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.65 26.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.37 145.21 26.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t 61.27 86.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p 179.77 167.98 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 p -177.03 168.2 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.26 -178.15 36.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.566 1.166 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.47 162.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.958 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.79 165.71 25.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.78 125.03 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.0 p -131.45 147.98 52.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p 177.54 105.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.49 133.17 2.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -110.81 116.02 52.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.18 4.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -172.85 118.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -151.42 95.75 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -178.04 96.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mt -96.16 12.17 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 62.33 148.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -50.41 162.73 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.27 107.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -128.69 174.52 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 39.14 36.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.63 176.04 7.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.04 163.36 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -175.7 2.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -58.45 103.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -80.12 -49.11 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -93.09 128.01 38.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -65.95 160.27 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.36 -62.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -41.21 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.31 -23.55 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.63 -33.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.52 -39.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -51.69 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' LEU . 14.6 mtt85 -44.16 -65.68 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 96.2 mt -39.33 -50.55 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -57.28 -60.29 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -39.71 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -23.51 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.26 2.3 60.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -76.62 157.98 81.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.22 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.03 117.82 5.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 44' ' ' ARG . 22.8 pt -47.55 -40.86 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -135.64 116.2 13.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.8 mp -80.32 148.32 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.67 113.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' GLU . . . 88.45 -40.85 3.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -38.93 139.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -94.37 154.86 17.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -49.25 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -40.91 75.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' THR . 1.7 t0 -60.36 -46.8 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.36 -40.29 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 25' ' ' MET . 4.8 t80 -68.91 -59.92 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.28 -45.82 62.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -52.64 -58.64 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 1.5 tm? -59.42 -50.14 75.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -48.56 -23.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -92.91 -29.52 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' LEU . 71.1 mt -68.93 -47.34 76.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' CG ' HD11 ' A' ' 57' ' ' LEU . 32.7 mm-40 -50.35 -28.03 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 62' ' ' ILE . 4.2 mm -61.08 -51.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mt -43.21 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 t -40.69 145.89 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -162.96 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.04 145.75 49.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 68' ' ' ASN . 1.4 p -133.25 -153.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.505 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 89.7 m-20 -65.71 112.88 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -157.99 139.22 13.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.54 123.77 6.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.82 157.56 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.33 87.81 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.22 29.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.793 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 p -173.76 162.07 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -109.09 154.84 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p 177.71 147.94 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -171.71 172.81 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.43 151.26 8.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -171.0 154.62 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.31 142.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.24 114.36 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 p -89.37 150.94 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 p -176.11 145.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.8 t -177.28 147.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.56 149.87 71.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' PRO . 7.1 p 40.43 56.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -124.88 100.23 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -164.33 124.27 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.61 105.51 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.24 131.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.55 143.24 45.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.57 -162.66 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 68.15 68.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -98.37 35.53 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -161.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 62.49 150.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.08 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 1.6 ttt -59.93 102.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.2 p -83.23 -43.79 15.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -101.87 111.93 24.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -66.62 167.69 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.85 -67.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -50.28 31.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 24.8 tp10 -54.67 -23.88 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG12 ' CD1' ' A' ' 36' ' ' LEU . 8.4 t -94.88 -32.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.4 mt -69.74 -37.56 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -53.08 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 13.1 mtt85 -55.55 -62.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 98.1 mt -39.8 -44.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -58.54 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.33 -34.83 69.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -66.6 -18.78 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 4.67 83.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.49 158.55 54.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.12 7.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 pt -52.58 -35.08 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -129.45 133.5 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -82.96 -172.61 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -76.48 73.96 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.6 50.75 2.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.44 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 1.8 mt-10 -104.88 164.2 11.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.8 t -116.07 161.01 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.5 m-20 -40.36 -51.51 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.69 -62.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.85 -57.6 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.36 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 25' ' ' MET . 4.7 t80 -57.8 -55.43 34.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -55.95 -36.94 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -55.57 -58.9 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 36' ' ' LEU . 1.6 tm? -61.59 -50.5 72.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.86 -24.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 2.5 ttpt -92.4 -35.28 13.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 67.6 mt -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.2 mt -64.14 -48.76 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -68.07 -64.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.465 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 3.0 m -38.5 146.15 0.31 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.441 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.2 Cg_endo -74.95 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.49 112.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.2 t -137.3 88.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -82.53 99.98 9.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -101.42 146.5 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.16 141.02 15.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.58 168.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.49 -158.76 23.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.04 42.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.07 103.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 m -109.41 -57.76 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -170.11 -59.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 p -41.4 156.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.06 76.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.23 115.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.975 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -177.2 126.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.973 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.59 135.92 6.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.88 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -173.65 164.69 4.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.6 t 177.2 111.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -164.37 95.96 0.95 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.94 -46.98 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.77 178.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.38 -150.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 43.65 69.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.59 -140.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 41.69 79.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -172.75 144.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.03 -173.04 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 79.87 55.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -98.03 39.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -63.48 145.24 56.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.72 154.51 76.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 77.82 3.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 37.75 86.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.048 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.3 p -71.68 -40.39 69.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.02 131.09 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' ARG . 39.2 m -83.42 167.6 17.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.8 -62.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -54.52 -46.76 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -57.51 -24.57 56.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 t -94.42 -32.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' ARG . 23.8 mt -68.69 -37.77 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' ARG . 14.0 mtt85 -43.04 -63.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.241 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 39' ' ' ARG . 22.4 mt -39.7 -66.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -46.91 -51.69 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.83 -21.65 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -90.95 -21.38 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 17.8 37.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -92.47 157.65 39.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.7 5.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.5 pt -54.32 -38.25 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' NH1' ' HA ' ' A' ' 49' ' ' THR . 2.4 tpt180 -138.59 111.33 7.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.49 -171.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -83.81 72.66 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.6 50.83 0.68 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -115.97 165.98 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.405 ' HA ' ' NH1' ' A' ' 44' ' ' ARG . 14.9 t -130.15 163.95 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -46.8 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -60.48 -61.52 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -55.41 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.96 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 4.0 t80 -59.07 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.76 -54.09 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.05 -60.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -60.79 -51.12 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -45.47 -25.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' LEU . 3.9 tttt -92.3 -36.17 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 52.8 mt -60.75 -44.16 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' CG ' HD11 ' A' ' 57' ' ' LEU . 40.0 mm-40 -55.47 -39.22 70.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.29 -46.69 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.7 mt -45.46 -82.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.3 t -51.61 145.95 14.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -70.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.523 1.802 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -41.29 120.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -158.75 120.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.07 112.46 7.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.01 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.21 164.21 21.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -91.15 116.83 29.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.7 -121.85 4.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 138.62 23.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.787 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.49 166.46 27.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.6 p -175.93 143.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.65 152.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.797 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -147.31 124.14 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.21 66.4 1.66 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 179.78 143.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -75.19 -59.43 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.43 67.74 1.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.3 m -146.38 -62.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 0.736 . . . . 0.0 110.446 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -165.17 148.77 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.5 p -140.87 86.75 2.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.8 98.94 0.39 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -88.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t 40.5 89.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.67 55.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -170.16 157.43 6.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -142.71 103.77 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.49 84.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.6 mp -53.86 156.42 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 18' ' ' LEU . . . 82.93 72.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.97 71.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.14 -22.19 27.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 176.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.36 152.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 1.1 ttt -44.65 107.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 5.5 p -149.22 37.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 26' ' ' THR . 32.2 mt -142.34 111.25 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' ARG . 28.5 m -69.85 161.78 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.81 -57.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -46.54 76.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -58.09 -26.41 62.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 36' ' ' LEU . 69.0 t -92.3 -32.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.504 ' CG2' ' NH1' ' A' ' 37' ' ' ARG . 57.7 mt -67.79 -40.22 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -41.88 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 64.6 mt -39.8 -65.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.504 ' NH1' ' CG2' ' A' ' 33' ' ' ILE . 7.4 mtt85 -46.08 -52.77 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.74 -29.67 64.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -18.04 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.17 6.51 63.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -76.48 156.9 83.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.47 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 44' ' ' ARG . 35.7 pt -51.35 -40.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' N ' HG13 ' A' ' 43' ' ' ILE . 1.6 tpt85 -138.01 115.21 10.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mt -74.57 -170.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.78 70.48 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.16 53.32 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.42 166.25 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.248 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -130.17 -178.73 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -47.33 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -62.57 -62.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.39 -56.98 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.76 59.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 25' ' ' MET . 27.3 t80 -59.77 -65.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -42.24 -46.81 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -46.99 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 1.6 tm? -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.78 -24.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.3 tttt -92.34 -35.56 13.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -61.38 -45.49 98.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.38 -37.25 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.34 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.73 -60.83 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.8 m -126.67 112.83 22.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -163.06 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.22 120.5 42.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.07 -58.75 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -168.67 143.59 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.75 140.53 56.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.08 -103.07 0.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.9 m -115.62 -57.44 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.56 -160.32 29.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -53.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 t -135.34 151.82 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 p -69.04 119.4 13.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -173.72 116.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -121.15 -63.35 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.5 118.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 p 179.19 128.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -174.11 143.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.02 130.63 6.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -175.14 103.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -172.82 145.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.3 t 177.73 128.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.9 t30 176.48 91.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 -44.89 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.78 178.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.2 -146.14 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 179.24 138.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.28 -140.24 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 46.99 95.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.29 154.26 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.69 92.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -106.99 52.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -96.71 35.17 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.36 -178.36 4.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' CD2' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 66.51 167.59 0.12 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD2' ' CD2' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.01 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.93 104.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.0 p -83.55 -47.44 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.34 111.14 23.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -66.97 167.63 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -64.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -45.71 49.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -58.79 -24.28 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 36' ' ' LEU . 31.9 t -94.84 -33.18 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.76 -36.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -54.89 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' NE ' ' OE1' ' A' ' 61' ' ' GLU . 12.5 mtt85 -50.54 -62.35 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 32' ' ' VAL . 92.3 mt -39.54 -65.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -44.71 -54.14 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -37.88 64.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -17.28 59.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.37 10.33 65.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.14 157.11 68.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -75.0 119.43 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 44' ' ' ARG . 21.0 pt -54.3 -35.52 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' ILE . 2.9 tpt180 -135.45 106.31 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.8 mp -71.44 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -168.84 102.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.73 -28.97 6.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -42.66 104.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.1 t -76.28 169.21 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -39.31 -38.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -65.36 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -45.18 -53.35 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.27 64.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 6.4 t80 -59.62 -42.19 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -59.07 -58.03 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -39.17 -63.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -54.95 -49.95 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.16 -35.46 13.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' LEU . 42.0 mt -61.09 -46.23 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 13.6 mm-40 -53.52 -44.56 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.8 mt -58.17 -57.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -49.18 -66.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 2.5 m -41.87 146.52 0.6 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.4 Cg_endo -74.98 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 39.25 73.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.497 ' CG2' ' N ' ' A' ' 68' ' ' ASN . 4.4 m -72.74 -143.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.497 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 37.3 t30 -109.25 92.76 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -52.15 123.34 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.71 -101.7 0.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 t 59.93 117.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.64 157.11 22.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.0 37.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.9 p 176.23 -65.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.81 118.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -138.67 113.42 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -149.68 -56.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.959 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.1 -117.07 3.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m 63.9 169.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 110.071 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m 63.41 136.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.07 179.35 43.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.7 p -136.27 81.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 t -178.33 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.024 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.3 p 179.28 112.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -49.6 138.69 16.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.09 4.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 25.2 t -149.48 69.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.55 125.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.26 52.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.62 -140.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 55.02 99.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.27 175.54 10.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.91 71.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 2.9 pt-20 -144.99 -165.2 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 5.8 tt0 83.94 -45.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 52.03 174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 26' ' ' THR . 0.6 OUTLIER -152.75 162.91 25.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -75.02 96.72 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.432 1.754 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 49.44 100.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 46.2 p -126.25 1.5 7.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mt -134.83 135.61 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -84.92 166.54 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' HG2' ' CD1' ' A' ' 33' ' ' ILE . 14.1 ttm180 -39.04 -61.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.7 -46.86 70.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.26 -24.78 57.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.03 -32.86 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 29' ' ' ARG . 56.5 mt -69.76 -38.03 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -45.13 -65.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 57' ' ' LEU . 95.4 mt -39.88 -54.91 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -54.52 -59.95 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -43.35 63.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -36.01 79.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.65 44.26 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -115.31 163.0 21.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.543 1.812 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.409 ' CG2' HG21 ' A' ' 33' ' ' ILE . 1.2 pt -58.6 -31.23 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.73 94.94 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.52 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -156.27 81.04 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.32 18.37 53.14 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.27 121.2 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.3 p -70.12 -168.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -73.69 -24.79 59.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -31.98 15.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.94 -43.86 74.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -27.91 61.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 15.0 t80 -71.09 -67.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -41.16 -31.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -65.88 -59.6 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.6 tm? -61.57 -51.0 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.551 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.81 -25.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -92.18 -35.63 13.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.1 mt -61.79 -46.43 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' CG ' HD13 ' A' ' 57' ' ' LEU . 25.2 mm-40 -50.11 -31.8 14.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.73 -57.51 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.5 mt -48.83 -63.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -120.65 91.76 47.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.35 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.34 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.1 148.4 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.9 p -78.99 -40.99 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.41 117.19 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -44.91 125.56 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.3 -116.58 2.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -59.15 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.52 157.72 8.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.68 12.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -124.69 89.62 3.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 p -147.66 166.92 25.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.138 . . . . 0.0 111.031 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -107.7 118.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -73.42 167.62 20.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -39.73 -55.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 13.9 tt0 -57.93 -45.68 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.95 -24.54 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG21 ' HA ' ' A' ' 54' ' ' PHE . 3.3 t -91.71 -31.55 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.776 HG23 ' CG2' ' A' ' 43' ' ' ILE . 41.3 mt -70.07 -44.77 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.11 -62.75 1.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' HD3' HD11 ' A' ' 57' ' ' LEU . 11.1 mtt85 -58.26 -62.62 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD12 HG12 ' A' ' 32' ' ' VAL . 90.4 mt -40.49 -46.84 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.49 -62.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.99 -17.34 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -14.89 28.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.33 9.89 81.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' OE2' HD13 ' A' ' 60' ' ' ILE . 5.8 mm-40 -79.84 156.63 74.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.776 ' CG2' HG23 ' A' ' 33' ' ' ILE . 13.3 pt -58.38 -23.27 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 4.5 tpt180 -153.1 112.5 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD12 ' OE1' ' A' ' 48' ' ' GLU . 1.9 mt -74.4 -171.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -86.93 67.62 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.67 51.46 0.34 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.627 ' OE1' HD12 ' A' ' 45' ' ' LEU . 4.8 mt-10 -121.59 164.23 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -130.12 177.03 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.27 -46.66 55.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -61.82 -62.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -55.02 7.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.17 81.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.763 ' HA ' HG21 ' A' ' 32' ' ' VAL . 10.2 t80 -56.63 -60.83 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -50.93 -48.12 60.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -47.99 -59.62 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.735 HD12 HG22 ' A' ' 32' ' ' VAL . 1.6 tm? -62.59 -50.6 70.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.66 -25.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' LEU . 15.2 tttt -92.13 -35.88 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' LEU . 37.0 mt -60.99 -45.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 14.9 mm-40 -53.99 -27.32 30.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.8 mt -76.58 -58.48 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.32 136.22 47.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -76.03 160.98 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.06 -57.62 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -48.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.57 -23.58 41.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 54' ' ' PHE . 71.9 t -94.71 -30.44 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.741 HG23 HG21 ' A' ' 43' ' ' ILE . 89.1 mt -73.45 -37.74 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -53.68 -70.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.918 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.6 mtt85 -48.86 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 57' ' ' LEU . 92.5 mt -39.26 -52.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -59.24 -59.33 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.21 -30.97 29.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -20.3 34.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.58 7.85 62.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.8 mm-40 -78.35 156.71 78.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.741 HG21 HG23 ' A' ' 33' ' ' ILE . 6.3 pt -62.61 -16.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.42 105.23 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -78.97 -177.85 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -53.21 92.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.98 58.53 13.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -102.62 168.71 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -130.1 159.91 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 54' ' ' PHE . 6.7 m-20 -40.34 -45.75 2.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -53.78 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -29.82 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' HG11 ' A' ' 32' ' ' VAL . 10.8 t80 -75.36 -55.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -53.91 -46.46 71.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -50.27 -58.42 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.918 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.51 -50.82 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -24.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 62' ' ' ILE . 17.7 tttt -92.19 -35.71 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.0 mt -61.45 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -51.89 -38.49 56.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 59' ' ' LYS . 67.8 mt -59.98 -54.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.3 mt -97.9 136.92 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 m -82.05 164.94 21.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -40.41 -55.87 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 1.5 tt0 -59.1 -43.64 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 12.4 tp10 -60.41 -24.76 65.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 54' ' ' PHE . 40.9 t -94.42 -32.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.416 HG23 ' CG2' ' A' ' 43' ' ' ILE . 68.4 mt -67.78 -38.73 80.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB3' HD21 ' A' ' 57' ' ' LEU . 1.3 mpt_? -51.57 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD1' HG12 ' A' ' 32' ' ' VAL . 69.4 mt -40.6 -61.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -47.79 -53.93 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.98 -26.11 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -12.21 42.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 8.41 83.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.28 156.53 81.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.445 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 117.94 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.9 pt -57.45 -29.13 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 105.23 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD13 ' NE ' ' A' ' 56' ' ' ARG . 4.4 mp -72.18 -78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -154.5 90.82 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.45 29.54 74.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.3 113.05 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -74.67 162.05 29.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' PHE . 23.1 m-20 -40.96 -46.94 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -55.51 32.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -54.59 41.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -57.75 -38.62 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.793 ' HA ' HG21 ' A' ' 32' ' ' VAL . 6.0 t80 -66.22 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -50.41 -36.03 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' NE ' HD13 ' A' ' 45' ' ' LEU . 40.2 ttp85 -58.7 -62.2 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.667 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -58.26 -49.89 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 62' ' ' ILE . 12.6 ttpt -92.31 -35.41 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 36' ' ' LEU . 33.4 mt -61.33 -45.69 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 55.5 mm-40 -51.09 -30.15 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 59' ' ' LYS . 24.0 mt -79.26 -51.34 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.33 140.42 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' ARG . 90.9 p -87.99 164.22 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -36.95 -63.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.97 -52.25 35.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.65 -23.87 19.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 54' ' ' PHE . 77.4 t -94.67 -26.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.764 HG23 HG21 ' A' ' 43' ' ' ILE . 31.5 mt -77.16 -38.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.89 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.807 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.9 mtt85 -45.62 -65.27 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 57' ' ' LEU . 65.8 mt -39.63 -44.39 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -69.21 -53.11 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -14.01 20.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -98.9 -16.26 18.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 -0.41 76.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -76.73 157.3 82.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.0 123.83 8.17 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 33' ' ' ILE . 6.7 pt -65.71 -17.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt85 -145.23 103.58 3.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -79.87 -171.39 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.01 93.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.62 57.64 15.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.1 mt-10 -107.28 121.12 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 t -80.45 160.28 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.43 -52.76 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -50.22 72.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -57.11 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -44.19 79.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 6.3 t80 -57.29 -55.93 28.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -52.93 -57.97 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -39.06 -59.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.807 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -60.96 -51.07 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.21 -24.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' LEU . 39.0 tptt -92.43 -34.92 13.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -62.1 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.39 -57.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.363 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.83 118.32 36.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' ARG . 53.7 m -69.68 164.78 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.94 -64.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.65 -53.72 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -51.31 -24.74 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 54' ' ' PHE . 39.4 t -92.8 -35.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.03 -38.7 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.74 -72.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.71 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.0 mtt85 -47.25 -63.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CD2' HD12 ' A' ' 60' ' ' ILE . 80.3 mt -39.79 -57.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -54.6 -45.31 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -75.1 -1.77 24.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -107.2 -30.54 8.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.55 35.4 4.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.82 165.49 13.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.77 5.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.8 pt -56.72 -22.19 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -153.96 118.76 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -82.61 -177.79 6.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.61 100.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.82 52.97 44.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.8 OUTLIER -107.19 127.49 53.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' ASP . 3.3 t -81.13 156.26 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.0 OUTLIER -40.44 -55.6 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -54.52 -41.47 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.52 -57.13 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.34 76.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 32' ' ' VAL . 2.8 t80 -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -47.2 -50.89 19.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -43.1 -63.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.71 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -56.72 -50.54 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.87 -25.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.699 ' HA ' HD12 ' A' ' 62' ' ' ILE . 16.3 tttt -92.22 -35.71 13.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 36' ' ' LEU . 17.7 mt -61.11 -45.47 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.0 mm-40 -52.85 -20.38 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 59' ' ' LYS . 24.9 mt -86.5 -59.86 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.779 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.484 ' O ' HD23 ' A' ' 27' ' ' LEU . 64.4 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 26' ' ' THR . 67.8 mt -151.86 111.1 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.8 m -72.93 163.03 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.776 ' C ' HD12 ' A' ' 33' ' ' ILE . 20.4 mtt85 -39.02 -57.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -37.98 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . 4.4 tp10 -65.68 -29.65 70.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.2 t -89.86 -26.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.776 HD12 ' C ' ' A' ' 29' ' ' ARG . 4.1 mt -77.12 -44.31 31.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -47.62 -69.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.964 ' HD3' HD11 ' A' ' 57' ' ' LEU . 30.0 mtt85 -45.64 -67.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 57' ' ' LEU . 58.6 mt -38.7 -48.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -54.63 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.07 -14.94 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -18.24 19.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.61 71.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.22 157.08 81.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.05 117.65 4.97 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 33' ' ' ILE . 20.9 pt -55.17 -34.73 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tpt180 -135.11 108.83 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -77.29 -172.48 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -87.1 78.92 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.81 56.69 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 16.8 mt-10 -126.24 163.27 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 50' ' ' ASP . 10.1 t -130.23 -168.05 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.447 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.6 OUTLIER -61.57 -46.99 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.18 -62.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.441 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.8 OUTLIER -40.22 -60.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.45 -55.66 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 20.9 t80 -54.64 -65.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -42.54 -52.45 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NE ' HD13 ' A' ' 45' ' ' LEU . 20.6 ttp85 -46.29 -63.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.964 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -57.21 -50.94 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -46.11 -25.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.594 ' HA ' HD12 ' A' ' 62' ' ' ILE . 20.6 tttt -91.43 -35.13 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -61.6 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -53.95 -41.85 68.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 59' ' ' LYS . 57.6 mt -58.39 -59.3 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mt -95.57 133.86 39.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -78.29 164.33 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.96 -59.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -55.8 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -50.49 -23.51 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.581 HG13 ' CB ' ' A' ' 57' ' ' LEU . 31.5 t -94.62 -33.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.738 HG23 ' CG2' ' A' ' 43' ' ' ILE . 80.9 mt -69.0 -37.81 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -53.76 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.0 mtt85 -52.06 -61.41 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 36' ' ' LEU . 25.5 mt -39.44 -56.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -59.87 3.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.96 -31.17 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -30.32 63.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.64 -2.41 49.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.57 160.0 78.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.738 ' CG2' HG23 ' A' ' 33' ' ' ILE . 28.1 pt -40.86 -43.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -147.53 127.88 13.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.42 169.26 17.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.79 100.47 5.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.08 -18.82 23.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 3.5 mt-10 -67.94 156.95 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -119.49 161.89 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -40.12 -43.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -63.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -46.86 -56.99 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.44 -49.5 67.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.0 t80 -56.74 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -49.25 -49.12 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -43.24 -59.73 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.581 ' CB ' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -61.21 -51.21 69.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.88 -25.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.67 ' HA ' HD12 ' A' ' 62' ' ' ILE . 36.4 tptt -92.27 -35.54 13.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -61.4 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 12.3 mm-40 -55.07 -41.39 71.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 59' ' ' LYS . 36.9 mt -60.98 -55.01 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.45 144.92 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' ARG . 40.8 m -92.67 167.15 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.0 -67.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -48.69 -54.29 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -51.35 -25.2 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.604 HG13 ' HB3' ' A' ' 57' ' ' LEU . 56.0 t -92.59 -35.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 43' ' ' ILE . 67.6 mt -66.75 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -72.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.814 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.6 mtt85 -46.66 -63.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.531 ' CD2' HD12 ' A' ' 60' ' ' ILE . 92.3 mt -39.25 -65.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -44.52 -53.59 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.58 -31.0 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -88.61 -1.51 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.95 12.22 83.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' HD13 ' A' ' 60' ' ' ILE . 40.2 mm-40 -78.39 156.82 78.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.79 5.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' CG2' HG23 ' A' ' 33' ' ' ILE . 6.0 pt -53.42 -24.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -142.28 129.72 21.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD12 ' NE ' ' A' ' 56' ' ' ARG . 1.8 mt -91.41 -168.43 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -72.51 87.34 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 56.32 10.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.7 mt-10 -109.19 133.01 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ASP . 14.3 t -85.65 158.66 20.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.87 -43.36 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -63.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -44.12 62.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.18 86.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 4.9 t80 -59.15 -42.65 91.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.5 -56.25 24.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.712 ' NE ' HD12 ' A' ' 45' ' ' LEU . 6.2 ttm-85 -38.76 -61.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.814 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -58.67 -52.29 66.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.68 -25.05 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.702 ' HA ' HD12 ' A' ' 62' ' ' ILE . 14.0 tttt -92.29 -35.91 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 36' ' ' LEU . 24.8 mt -61.56 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 9.9 mm-40 -52.0 -40.07 60.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 59' ' ' LYS . 37.0 mt -60.52 -59.59 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.15 132.57 47.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.19 166.32 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.77 -55.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 29' ' ' ARG . 1.1 tt0 -61.9 -50.03 73.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.56 -29.39 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 54' ' ' PHE . 46.3 t -88.08 -35.35 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 43' ' ' ILE . 38.8 mt -65.18 -42.69 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.691 ' HD3' HD11 ' A' ' 57' ' ' LEU . 5.2 mtt-85 -50.15 -62.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 32' ' ' VAL . 81.8 mt -39.72 -54.76 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -51.16 -44.05 61.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ARG . 38.0 mt-10 -73.22 -19.0 61.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.49 5.17 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 9.91 52.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.78 156.65 74.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.68 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 33' ' ' ILE . 12.1 pt -53.11 -26.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -139.42 136.23 34.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.527 HD12 ' CD ' ' A' ' 56' ' ' ARG . 4.9 mt -103.4 -172.06 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.28 97.58 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 57.6 7.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 2.7 mt-10 -117.31 152.61 34.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 51' ' ' TYR . 10.3 t -116.57 -158.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -69.92 -44.88 68.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' H ' HG23 ' A' ' 49' ' ' THR . 0.1 OUTLIER -65.01 -58.39 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -49.8 -57.23 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.29 -47.85 68.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.714 ' HA ' HG21 ' A' ' 32' ' ' VAL . 2.4 t80 -58.1 -63.51 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -46.86 -42.06 16.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.527 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.6 ttm-85 -50.91 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.691 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -58.31 -52.57 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.67 -25.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 12.5 tttt -92.46 -35.84 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.2 mt -62.11 -39.54 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 57' ' ' LEU . 52.0 mm-40 -60.91 -30.2 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.62 -54.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.7 mt -107.52 132.15 53.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -77.16 165.08 25.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 1.5 ppt_? -39.68 -57.17 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 48.2 tt0 -55.69 -50.89 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.22 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 6.4 tp10 -54.0 -23.68 14.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' A' ' 54' ' ' PHE . 42.7 t -94.7 -31.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.73 HG23 HG21 ' A' ' 43' ' ' ILE . 35.4 mt -71.44 -37.52 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -55.2 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.864 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.5 mtt85 -42.63 -65.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 57' ' ' LEU . 94.0 mt -39.06 -58.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -51.47 -54.92 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.68 -12.78 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -94.82 -26.45 16.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.65 32.33 7.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.39 163.05 18.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.73 HG21 HG23 ' A' ' 33' ' ' ILE . 1.1 pt -55.62 -22.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt180 -154.57 116.87 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.74 -172.35 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -87.07 77.2 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.21 45.24 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 3.9 mt-10 -118.28 156.62 28.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 t -121.83 162.98 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' N ' HH12 ' A' ' 44' ' ' ARG . 16.5 m-20 -40.51 -36.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -68.43 -64.38 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -49.73 48.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.68 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 5.3 t80 -68.88 -45.88 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.537 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 6.2 mt-30 -54.4 -59.14 5.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 7.7 ttm-85 -38.79 -59.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.864 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 tm? -59.36 -52.28 66.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.63 -25.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' HD12 ' A' ' 62' ' ' ILE . 15.1 tttt -92.34 -35.84 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 mt -61.7 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.5 mm-40 -51.8 -38.05 54.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 59' ' ' LYS . 59.1 mt -63.98 -56.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.7 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.3 139.53 39.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' ARG . 88.2 p -87.6 160.52 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -37.01 -62.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 3.0 tm0? -48.39 -60.5 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -46.47 -27.68 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.808 HG21 ' HA ' ' A' ' 54' ' ' PHE . 44.1 t -89.34 -34.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.944 HG23 ' CG2' ' A' ' 43' ' ' ILE . 62.5 mt -70.97 -38.45 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -54.83 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.702 ' HD3' HD11 ' A' ' 57' ' ' LEU . 26.0 mtt180 -47.84 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' CD2' HD12 ' A' ' 60' ' ' ILE . 85.2 mt -39.67 -57.15 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -47.37 -59.36 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -33.83 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -11.5 59.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.22 3.75 88.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.58 156.72 82.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.78 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.944 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -51.61 -39.56 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.592 HH12 ' N ' ' A' ' 50' ' ' ASP . 4.5 tpt180 -135.17 129.79 34.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CD ' ' A' ' 56' ' ' ARG . 6.6 mt -98.71 169.18 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.71 104.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -25.09 14.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -45.81 112.34 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 52' ' ' ASP . 4.4 t -75.81 160.5 29.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.592 ' N ' HH12 ' A' ' 44' ' ' ARG . 41.6 t0 -42.12 -56.0 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -36.45 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' N ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -58.15 -59.13 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.39 -49.85 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.808 ' HA ' HG21 ' A' ' 32' ' ' VAL . 3.9 t80 -55.28 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -53.0 -45.17 67.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CD ' HD12 ' A' ' 45' ' ' LEU . 2.5 ttm-85 -49.55 -58.55 5.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.702 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 tm? -62.48 -50.97 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.74 -25.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 62' ' ' ILE . 19.6 tttt -92.07 -35.7 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 63' ' ' LEU . 22.9 mt -61.19 -46.02 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 62.9 mm-40 -53.96 -40.12 66.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 59' ' ' LYS . 71.9 mt -58.73 -61.07 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 60' ' ' ILE . 2.1 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -102.49 127.09 49.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.51 164.2 26.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -41.14 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 1.1 tt0 -57.17 -44.94 84.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.07 -25.56 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG13 ' HB3' ' A' ' 57' ' ' LEU . 57.7 t -93.64 -33.67 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.601 HG23 ' CG2' ' A' ' 43' ' ' ILE . 73.5 mt -66.9 -38.38 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.34 -61.56 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 57' ' ' LEU . 72.0 mt -40.49 -52.56 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -56.83 -57.11 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -15.32 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -95.38 -13.45 24.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.18 4.52 86.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE2' HD13 ' A' ' 60' ' ' ILE . 2.9 mm-40 -79.87 157.05 74.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -74.99 117.97 5.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.601 ' CG2' HG23 ' A' ' 33' ' ' ILE . 31.0 pt -50.3 -36.34 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -138.16 117.18 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 5.0 mp -83.87 -172.05 3.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -78.47 82.08 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.74 55.64 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' OE2' HD13 ' A' ' 45' ' ' LEU . 4.6 mt-10 -120.34 111.78 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -73.93 158.15 34.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -40.48 -52.49 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -39.72 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -60.51 -56.37 22.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -41.35 78.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 3.6 t80 -59.67 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -53.29 -32.86 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' NE ' HD13 ' A' ' 45' ' ' LEU . 35.8 ttp85 -61.1 -60.86 3.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.6 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -59.02 -51.43 70.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.27 -25.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 62' ' ' ILE . 18.0 tttt -92.56 -36.3 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . 75.6 mt -60.75 -43.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 56.1 mm-40 -52.58 -24.82 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 59' ' ' LYS . 15.0 mt -87.67 -61.21 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.3 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.56 124.54 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -81.53 165.66 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -37.17 -67.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -52.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.88 -25.44 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.865 HG21 ' HA ' ' A' ' 54' ' ' PHE . 24.9 t -92.67 -31.32 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.717 HG23 HG22 ' A' ' 43' ' ' ILE . 17.8 mt -70.55 -40.2 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -52.07 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' NH1' ' CD ' ' A' ' 61' ' ' GLU . 1.6 mtt-85 -55.4 -61.55 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.713 HD12 HG12 ' A' ' 32' ' ' VAL . 65.9 mt -39.04 -59.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -44.69 -58.14 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.71 -37.87 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -1.9 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.51 7.08 72.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.03 156.7 82.06 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HG2' HD11 ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.99 117.78 5.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.717 HG22 HG23 ' A' ' 33' ' ' ILE . 25.6 pt -45.95 -43.32 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -140.71 124.58 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD13 ' NE ' ' A' ' 56' ' ' ARG . 5.0 mp -83.56 -172.83 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -90.4 78.24 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.99 52.0 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 52' ' ' ASP . 7.6 mt-10 -139.64 163.21 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.17 -168.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.73 -47.13 83.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -69.93 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 2.8 t0 -43.29 -50.06 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.99 77.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.865 ' HA ' HG21 ' A' ' 32' ' ' VAL . 3.6 t80 -54.76 -52.43 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -56.85 -38.52 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.587 ' NE ' HD13 ' A' ' 45' ' ' LEU . 20.0 ttp85 -55.58 -59.21 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.585 ' CB ' HG13 ' A' ' 32' ' ' VAL . 1.7 tm? -58.52 -52.78 64.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.07 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 62' ' ' ILE . 13.6 tptt -92.52 -35.41 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 11.4 mt -61.98 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' HG2' HD22 ' A' ' 57' ' ' LEU . 57.2 mm-40 -53.67 -42.09 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 59' ' ' LYS . 50.9 mt -59.21 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -100.5 136.97 39.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ARG . 19.7 p -82.45 165.54 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.062 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.85 -67.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -49.08 -48.96 43.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -56.06 -24.44 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.648 HG13 ' HB3' ' A' ' 57' ' ' LEU . 53.8 t -94.45 -33.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.843 HG23 ' CG2' ' A' ' 43' ' ' ILE . 68.0 mt -66.98 -38.24 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -51.79 -67.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.569 HH11 HD11 ' A' ' 57' ' ' LEU . 1.9 mpt_? -52.83 -59.7 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.626 ' CD1' HG12 ' A' ' 32' ' ' VAL . 80.2 mt -40.46 -67.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -42.56 -52.74 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -34.61 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.47 -5.95 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 9.35 87.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CD ' HD13 ' A' ' 60' ' ' ILE . 8.2 mm-40 -77.68 156.43 80.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.843 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -55.26 -41.84 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -135.3 113.71 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.96 -171.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -93.35 75.8 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.78 49.3 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.95 175.84 5.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 p -129.91 -168.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.27 -23.25 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.9 -38.04 12.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.86 -50.88 70.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.83 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.6 t80 -61.34 -63.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -49.84 -34.6 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -57.6 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.648 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -60.01 -51.26 70.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.98 -24.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.488 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.8 tppt? -92.58 -35.53 13.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.454 HD13 ' CD ' ' A' ' 41' ' ' GLU . 89.3 mt -61.96 -45.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 45.4 mm-40 -51.47 -37.32 48.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 59' ' ' LYS . 59.5 mt -63.45 -60.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD12 ' HG2' ' A' ' 58' ' ' ARG . 1.5 mt -93.09 128.01 38.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -65.95 160.27 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.36 -62.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -41.21 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.31 -23.55 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 54' ' ' PHE . 4.8 t -93.63 -33.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.732 HG23 ' CG2' ' A' ' 43' ' ' ILE . 74.1 mt -69.52 -39.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -51.69 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' A' ' 57' ' ' LEU . 14.6 mtt85 -44.16 -65.68 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.581 HD21 ' HB2' ' A' ' 57' ' ' LEU . 96.2 mt -39.33 -50.55 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -57.28 -60.29 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -39.71 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -23.51 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.26 2.3 60.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.54 ' OE2' HD13 ' A' ' 60' ' ' ILE . 1.8 mm-40 -76.62 157.98 81.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.22 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.03 117.82 5.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.732 ' CG2' HG23 ' A' ' 33' ' ' ILE . 22.8 pt -47.55 -40.86 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -135.64 116.2 13.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD22 ' OE2' ' A' ' 48' ' ' GLU . 4.8 mp -80.32 148.32 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.67 113.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' GLU . . . 88.45 -40.85 3.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' OE2' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -38.93 139.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -94.37 154.86 17.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -49.25 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -40.91 75.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' THR . 1.7 t0 -60.36 -46.8 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.36 -40.29 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 4.8 t80 -68.91 -59.92 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.28 -45.82 62.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -52.64 -58.64 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.741 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -59.42 -50.14 75.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -48.56 -23.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -92.91 -29.52 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.54 HD13 ' OE2' ' A' ' 41' ' ' GLU . 71.1 mt -68.93 -47.34 76.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -50.35 -28.03 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 62' ' ' ILE . 4.2 mm -61.08 -51.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -101.87 111.93 24.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -66.62 167.69 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.85 -67.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -50.28 31.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 24.8 tp10 -54.67 -23.88 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HD12 ' A' ' 57' ' ' LEU . 8.4 t -94.88 -32.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.879 HG23 HG21 ' A' ' 43' ' ' ILE . 89.4 mt -69.74 -37.56 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -53.08 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.1 mtt85 -55.55 -62.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 HG12 ' A' ' 32' ' ' VAL . 98.1 mt -39.8 -44.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -58.54 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.33 -34.83 69.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -66.6 -18.78 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 4.67 83.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.49 158.55 54.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.12 7.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.879 HG21 HG23 ' A' ' 33' ' ' ILE . 2.5 pt -52.58 -35.08 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -129.45 133.5 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -82.96 -172.61 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -76.48 73.96 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.6 50.75 2.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 1.8 mt-10 -104.88 164.2 11.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 52' ' ' ASP . 5.8 t -116.07 161.01 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.5 m-20 -40.36 -51.51 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.69 -62.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.438 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -46.85 -57.6 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.36 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 4.7 t80 -57.8 -55.43 34.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -55.95 -36.94 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -55.57 -58.9 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.672 HD12 HG22 ' A' ' 32' ' ' VAL . 1.6 tm? -61.59 -50.5 72.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.86 -24.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.708 ' HA ' HD12 ' A' ' 62' ' ' ILE . 2.5 ttpt -92.4 -35.28 13.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 67.6 mt -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 59' ' ' LYS . 46.2 mt -64.14 -48.76 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.02 131.09 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' ARG . 39.2 m -83.42 167.6 17.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.8 -62.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -54.52 -46.76 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -57.51 -24.57 56.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 54' ' ' PHE . 5.0 t -94.42 -32.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' ARG . 23.8 mt -68.69 -37.77 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.776 ' HD3' HD11 ' A' ' 57' ' ' LEU . 14.0 mtt85 -43.04 -63.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.241 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 57' ' ' LEU . 22.4 mt -39.7 -66.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -46.91 -51.69 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.83 -21.65 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -90.95 -21.38 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 17.8 37.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -92.47 157.65 39.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.7 5.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.403 ' CG2' HG23 ' A' ' 33' ' ' ILE . 34.5 pt -54.32 -38.25 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 49' ' ' THR . 2.4 tpt180 -138.59 111.33 7.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.475 HD12 ' CD ' ' A' ' 48' ' ' GLU . 2.1 mt -70.49 -171.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -83.81 72.66 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.6 50.83 0.68 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 mt-10 -115.97 165.98 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' NH1' ' A' ' 44' ' ' ARG . 14.9 t -130.15 163.95 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -46.8 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -60.48 -61.52 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -55.41 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.96 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 32' ' ' VAL . 4.0 t80 -59.07 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.76 -54.09 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.05 -60.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.776 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -60.79 -51.12 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -45.47 -25.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.9 tttt -92.3 -36.17 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 52.8 mt -60.75 -44.16 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -55.47 -39.22 70.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 59' ' ' LYS . 54.2 mt -65.29 -46.69 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.912 ' O ' HD23 ' A' ' 27' ' ' LEU . 5.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 26' ' ' THR . 32.2 mt -142.34 111.25 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' ARG . 28.5 m -69.85 161.78 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.81 -57.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -46.54 76.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -58.09 -26.41 62.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 57' ' ' LEU . 69.0 t -92.3 -32.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.543 HG23 ' CG2' ' A' ' 43' ' ' ILE . 57.7 mt -67.79 -40.22 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HD3' HD11 ' A' ' 57' ' ' LEU . 2.0 mpt_? -41.88 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 57' ' ' LEU . 64.6 mt -39.8 -65.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.504 ' NH1' ' CG2' ' A' ' 33' ' ' ILE . 7.4 mtt85 -46.08 -52.77 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.74 -29.67 64.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -18.04 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.17 6.51 63.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -76.48 156.9 83.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.47 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.543 ' CG2' HG23 ' A' ' 33' ' ' ILE . 35.7 pt -51.35 -40.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 43' ' ' ILE . 1.6 tpt85 -138.01 115.21 10.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mt -74.57 -170.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.78 70.48 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.16 53.32 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.42 166.25 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.248 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 52' ' ' ASP . 9.0 t -130.17 -178.73 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -47.33 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -62.57 -62.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -47.39 -56.98 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.76 59.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 27.3 t80 -59.77 -65.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -42.24 -46.81 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -46.99 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.577 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.78 -24.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.3 tttt -92.34 -35.56 13.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -61.38 -45.49 98.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.38 -37.25 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.34 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.34 111.14 23.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -66.97 167.63 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -64.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -45.71 49.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -58.79 -24.28 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.827 HG21 ' HA ' ' A' ' 54' ' ' PHE . 31.9 t -94.84 -33.18 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.577 HG23 HG21 ' A' ' 43' ' ' ILE . 11.5 mt -68.76 -36.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -54.89 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.665 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.5 mtt85 -50.54 -62.35 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD12 HG12 ' A' ' 32' ' ' VAL . 92.3 mt -39.54 -65.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -44.71 -54.14 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -37.88 64.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -17.28 59.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.37 10.33 65.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.14 157.11 68.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -75.0 119.43 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.577 HG21 HG23 ' A' ' 33' ' ' ILE . 21.0 pt -54.3 -35.52 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' N ' HG13 ' A' ' 43' ' ' ILE . 2.9 tpt180 -135.45 106.31 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.8 mp -71.44 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -168.84 102.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.73 -28.97 6.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -42.66 104.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.1 t -76.28 169.21 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -39.31 -38.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -65.36 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -45.18 -53.35 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.27 64.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.827 ' HA ' HG21 ' A' ' 32' ' ' VAL . 6.4 t80 -59.62 -42.19 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -59.07 -58.03 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -39.17 -63.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.665 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -54.95 -49.95 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.16 -35.46 13.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.473 HD12 ' CD2' ' A' ' 36' ' ' LEU . 42.0 mt -61.09 -46.23 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 13.6 mm-40 -53.52 -44.56 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.8 mt -58.17 -57.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' HD23 ' A' ' 27' ' ' LEU . 46.2 p . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 26' ' ' THR . 2.5 mt -134.83 135.61 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -84.92 166.54 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.532 ' HG2' HD11 ' A' ' 33' ' ' ILE . 14.1 ttm180 -39.04 -61.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.7 -46.86 70.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.26 -24.78 57.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG13 ' HB3' ' A' ' 57' ' ' LEU . 58.0 t -94.03 -32.86 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 29' ' ' ARG . 56.5 mt -69.76 -38.03 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.858 ' HD3' HD11 ' A' ' 57' ' ' LEU . 16.4 mtt85 -45.13 -65.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD2' HD12 ' A' ' 60' ' ' ILE . 95.4 mt -39.88 -54.91 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -54.52 -59.95 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -43.35 63.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -36.01 79.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.65 44.26 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -115.31 163.0 21.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.543 1.812 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.511 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.2 pt -58.6 -31.23 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.73 94.94 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.52 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -156.27 81.04 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.32 18.37 53.14 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.27 121.2 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.3 p -70.12 -168.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -73.69 -24.79 59.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -31.98 15.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.94 -43.86 74.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -27.91 61.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 15.0 t80 -71.09 -67.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -41.16 -31.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -65.88 -59.6 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.858 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.57 -51.0 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.81 -25.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -92.18 -35.63 13.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.593 HD12 ' CD2' ' A' ' 36' ' ' LEU . 16.1 mt -61.79 -46.43 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -50.11 -31.8 14.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.73 -57.51 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.87 166.26 25.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -148.52 -58.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.48 148.87 14.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -146.39 83.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -156.57 -59.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.71 147.11 11.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -145.73 -60.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.9 80.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 t -168.72 162.18 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -43.68 130.51 3.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -39.97 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 p 41.5 42.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -160.69 125.73 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' CG ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER 74.41 158.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -145.65 105.47 4.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 63.22 127.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD12 ' CG ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -178.89 -161.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.91 46.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.05 97.06 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 2.8 pt-20 -111.8 7.38 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -57.01 -165.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 57.25 163.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.836 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -74.99 -167.19 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -47.63 103.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 24' ' ' PRO . 3.2 p -92.95 -35.11 13.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -107.7 118.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -73.42 167.62 20.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -39.73 -55.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 13.9 tt0 -57.93 -45.68 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.95 -24.54 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG21 ' HA ' ' A' ' 54' ' ' PHE . 3.3 t -91.71 -31.55 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.776 HG23 ' CG2' ' A' ' 43' ' ' ILE . 41.3 mt -70.07 -44.77 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.11 -62.75 1.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' HD3' HD11 ' A' ' 57' ' ' LEU . 11.1 mtt85 -58.26 -62.62 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD12 HG12 ' A' ' 32' ' ' VAL . 90.4 mt -40.49 -46.84 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.49 -62.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.99 -17.34 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -14.89 28.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.33 9.89 81.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' OE2' HD13 ' A' ' 60' ' ' ILE . 5.8 mm-40 -79.84 156.63 74.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.776 ' CG2' HG23 ' A' ' 33' ' ' ILE . 13.3 pt -58.38 -23.27 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 4.5 tpt180 -153.1 112.5 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD12 ' OE1' ' A' ' 48' ' ' GLU . 1.9 mt -74.4 -171.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -86.93 67.62 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.67 51.46 0.34 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.627 ' OE1' HD12 ' A' ' 45' ' ' LEU . 4.8 mt-10 -121.59 164.23 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -130.12 177.03 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.27 -46.66 55.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -61.82 -62.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -55.02 7.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.17 81.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.763 ' HA ' HG21 ' A' ' 32' ' ' VAL . 10.2 t80 -56.63 -60.83 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -50.93 -48.12 60.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -47.99 -59.62 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.735 HD12 HG22 ' A' ' 32' ' ' VAL . 1.6 tm? -62.59 -50.6 70.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.66 -25.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' LEU . 15.2 tttt -92.13 -35.88 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' LEU . 37.0 mt -60.99 -45.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 14.9 mm-40 -53.99 -27.32 30.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.8 mt -76.58 -58.48 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -53.83 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 m -116.75 92.55 38.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.443 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -163.71 80.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t 40.85 87.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -162.22 89.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.08 141.88 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.09 144.4 4.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.96 116.85 31.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.21 156.91 5.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 171.27 18.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.9 p -91.51 82.99 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t 65.97 151.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.09 157.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p 178.46 166.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.2 176.31 45.94 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.27 146.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.64 158.4 11.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.89 -171.17 34.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 p -110.91 116.28 30.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 167.91 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 67.1 -177.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 59.98 101.5 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 56.78 4.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 p -111.29 159.95 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt 64.11 94.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -130.33 168.94 16.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -148.4 106.96 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.84 167.9 21.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.11 164.08 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.97 -159.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 63.99 170.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 40.33 30.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -48.47 171.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.94 157.63 35.52 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.43 1.753 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.402 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 3.3 mtt -59.55 120.5 9.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p -110.28 -33.46 6.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.32 136.22 47.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -76.03 160.98 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.06 -57.62 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -48.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.57 -23.58 41.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 54' ' ' PHE . 71.9 t -94.71 -30.44 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.741 HG23 HG21 ' A' ' 43' ' ' ILE . 89.1 mt -73.45 -37.74 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -53.68 -70.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.918 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.6 mtt85 -48.86 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 57' ' ' LEU . 92.5 mt -39.26 -52.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -59.24 -59.33 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.21 -30.97 29.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -20.3 34.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.58 7.85 62.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.8 mm-40 -78.35 156.71 78.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.741 HG21 HG23 ' A' ' 33' ' ' ILE . 6.3 pt -62.61 -16.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.42 105.23 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -78.97 -177.85 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -53.21 92.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.98 58.53 13.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -102.62 168.71 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -130.1 159.91 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 54' ' ' PHE . 6.7 m-20 -40.34 -45.75 2.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -53.78 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -29.82 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' HG11 ' A' ' 32' ' ' VAL . 10.8 t80 -75.36 -55.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -53.91 -46.46 71.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -50.27 -58.42 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.918 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.51 -50.82 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -24.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 62' ' ' ILE . 17.7 tttt -92.19 -35.71 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.0 mt -61.45 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -51.89 -38.49 56.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 59' ' ' LYS . 67.8 mt -59.98 -54.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -46.09 -66.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.683 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.9 m -51.28 145.47 13.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.683 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.3 Cg_endo -74.98 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 62.05 115.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.9 t 53.31 100.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -131.85 83.8 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.05 129.19 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 176.2 86.37 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.11 148.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.23 158.02 14.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.33 35.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.3 t -122.97 113.33 18.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.7 t -103.57 96.21 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -139.42 -58.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m 64.78 168.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.0 -143.88 8.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.91 133.32 8.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.92 103.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.71 -177.38 5.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -157.27 79.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t 59.31 171.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.9 p 174.11 -61.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -175.09 109.48 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 12' ' ' PRO . 8.7 p 42.55 38.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -133.49 104.9 6.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -121.67 162.63 20.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -127.48 -140.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' H ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt-10 63.45 148.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.808 HD12 ' N ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER 62.18 154.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.808 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -149.28 -172.14 4.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 79.2 171.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 39.22 32.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -55.79 159.46 3.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 156.89 89.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' O ' HG23 ' A' ' 26' ' ' THR . 18.4 Cg_endo -74.94 170.48 20.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -41.67 143.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 24' ' ' PRO . 22.1 p -136.41 -47.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.3 mt -97.9 136.92 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 m -82.05 164.94 21.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -40.41 -55.87 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 1.5 tt0 -59.1 -43.64 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 12.4 tp10 -60.41 -24.76 65.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 54' ' ' PHE . 40.9 t -94.42 -32.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.416 HG23 ' CG2' ' A' ' 43' ' ' ILE . 68.4 mt -67.78 -38.73 80.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB3' HD21 ' A' ' 57' ' ' LEU . 1.3 mpt_? -51.57 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD1' HG12 ' A' ' 32' ' ' VAL . 69.4 mt -40.6 -61.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -47.79 -53.93 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.98 -26.11 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.53 ' CZ ' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER -88.74 -12.21 42.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 8.41 83.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.28 156.53 81.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.445 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 117.94 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.9 pt -57.45 -29.13 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 105.23 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD13 ' NE ' ' A' ' 56' ' ' ARG . 4.4 mp -72.18 -78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -154.5 90.82 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.45 29.54 74.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.3 113.05 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -74.67 162.05 29.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 23.1 m-20 -40.96 -46.94 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -55.51 32.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -54.59 41.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -57.75 -38.62 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.793 ' HA ' HG21 ' A' ' 32' ' ' VAL . 6.0 t80 -66.22 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -50.41 -36.03 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' NE ' HD13 ' A' ' 45' ' ' LEU . 40.2 ttp85 -58.7 -62.2 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.667 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -58.26 -49.89 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 62' ' ' ILE . 12.6 ttpt -92.31 -35.41 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 36' ' ' LEU . 33.4 mt -61.33 -45.69 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 55.5 mm-40 -51.09 -30.15 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.611 ' HA ' HD21 ' A' ' 14' ' ' LEU . 24.0 mt -79.26 -51.34 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -53.45 -68.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.733 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.5 m -38.45 146.58 0.29 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.4 Cg_endo -75.01 -63.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.492 1.786 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' C ' HG12 ' A' ' 67' ' ' VAL . 2.9 mt-10 66.92 79.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.42 HG12 ' C ' ' A' ' 66' ' ' GLU . 11.8 p 42.4 51.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.46 149.44 21.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.47 84.34 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.4 -141.37 3.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t -108.88 87.77 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.744 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.18 -146.58 4.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' CG ' ' HG3' ' A' ' 65' ' ' PRO . 18.3 Cg_endo -75.02 -33.99 4.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t 51.68 96.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.96 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.19 77.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.71 158.68 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.58 162.87 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.55 176.63 33.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 p -176.19 153.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -114.34 117.09 30.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.74 168.89 36.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 8' ' ' THR . 10.0 t -139.12 62.12 1.54 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 0.774 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -129.5 168.55 16.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.47 -61.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 59.48 94.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.75 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 -44.78 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.806 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.72 178.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.706 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -160.38 123.18 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 163.4 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.03 -140.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 46.89 82.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.0 mm? -99.58 167.58 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . 177.72 91.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.67 56.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.75 36.69 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 170.25 8.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.48 155.68 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -166.22 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 55.8 mtp -67.59 77.52 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p -40.72 -33.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.33 140.42 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' ARG . 90.9 p -87.99 164.22 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -36.95 -63.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.97 -52.25 35.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.65 -23.87 19.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 54' ' ' PHE . 77.4 t -94.67 -26.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.764 HG23 HG21 ' A' ' 43' ' ' ILE . 31.5 mt -77.16 -38.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.89 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.807 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.9 mtt85 -45.62 -65.27 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 57' ' ' LEU . 65.8 mt -39.63 -44.39 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -69.21 -53.11 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -14.01 20.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -98.9 -16.26 18.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 -0.41 76.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -76.73 157.3 82.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.0 123.83 8.17 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 33' ' ' ILE . 6.7 pt -65.71 -17.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt85 -145.23 103.58 3.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -79.87 -171.39 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.01 93.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.62 57.64 15.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.1 mt-10 -107.28 121.12 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 t -80.45 160.28 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.43 -52.76 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -50.22 72.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -57.11 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -44.19 79.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 6.3 t80 -57.29 -55.93 28.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -52.93 -57.97 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -39.06 -59.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.807 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -60.96 -51.07 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.21 -24.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' LEU . 39.0 tptt -92.43 -34.92 13.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -62.1 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.39 -57.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.363 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mt -40.47 -62.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.739 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -48.85 146.63 5.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.4 Cg_endo -75.0 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 50.69 83.12 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.6 p -174.29 135.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -134.68 148.03 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -163.53 165.53 23.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.83 142.39 45.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -72.53 162.03 30.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.76 91.23 0.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 151.22 39.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.41 115.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.8 t -71.97 92.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -173.78 148.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m 60.51 162.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.76 106.82 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -168.21 173.75 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.51 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 61.9 p -57.63 -63.01 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' HD21 ' A' ' 18' ' ' LEU . . . 91.93 80.52 1.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.3 p -108.52 -179.14 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.392 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t 41.69 61.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -159.21 -157.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -150.58 99.92 3.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -35.96 2.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 39.01 30.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 12' ' ' PRO . 5.1 tp -166.01 128.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -39.07 115.98 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.41 122.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -40.6 154.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -155.23 -153.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -119.61 49.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.15 95.17 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.229 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 2.6 pt-20 -114.78 24.37 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -164.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.514 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 59.49 154.32 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 26' ' ' THR . 18.2 Cg_endo -74.97 -167.53 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.811 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.47 100.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 24' ' ' PRO . 21.9 p -89.0 -38.76 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.83 118.32 36.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' ARG . 53.7 m -69.68 164.78 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.94 -64.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.65 -53.72 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -51.31 -24.74 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 54' ' ' PHE . 39.4 t -92.8 -35.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.03 -38.7 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.74 -72.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.71 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.0 mtt85 -47.25 -63.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CD2' HD12 ' A' ' 60' ' ' ILE . 80.3 mt -39.79 -57.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -54.6 -45.31 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -75.1 -1.77 24.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -107.2 -30.54 8.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.55 35.4 4.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.82 165.49 13.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.77 5.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.8 pt -56.72 -22.19 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -153.96 118.76 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -82.61 -177.79 6.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.61 100.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.82 52.97 44.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.8 OUTLIER -107.19 127.49 53.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' ASP . 3.3 t -81.13 156.26 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.0 OUTLIER -40.44 -55.6 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -54.52 -41.47 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.52 -57.13 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.34 76.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 32' ' ' VAL . 2.8 t80 -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -47.2 -50.89 19.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -43.1 -63.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.71 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -56.72 -50.54 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.87 -25.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.699 ' HA ' HD12 ' A' ' 62' ' ' ILE . 16.3 tttt -92.22 -35.71 13.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 36' ' ' LEU . 17.7 mt -61.11 -45.47 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.0 mm-40 -52.85 -20.38 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 59' ' ' LYS . 24.9 mt -86.5 -59.86 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.779 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -52.94 -44.16 66.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.725 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.5 m -43.98 146.46 1.07 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.2 Cg_endo -75.02 -60.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 61.71 68.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 67' ' ' VAL . 62.9 t 42.77 74.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -41.69 124.48 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 166.19 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -138.32 125.4 3.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 t -142.52 168.84 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.49 97.31 0.61 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.8 34.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 t -112.09 96.53 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.062 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 p -174.57 134.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -162.9 -58.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.986 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.23 157.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.37 144.61 13.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -179.24 143.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 p -165.32 154.78 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.43 -165.19 38.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m 61.75 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 110.441 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -145.66 118.25 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.2 159.05 44.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -95.74 164.33 19.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -82.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 13' ' ' VAL . 17.8 t 42.78 86.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD21 ' O ' ' A' ' 72' ' ' GLY . 0.2 OUTLIER -134.03 -153.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' H ' HD23 ' A' ' 14' ' ' LEU . 4.4 tt0 -151.41 108.96 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -145.0 103.88 3.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -109.85 94.23 4.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 56.9 170.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.15 64.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 154.27 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 62.01 26.82 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mp -48.02 155.15 0.9 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.662 ' O ' HG23 ' A' ' 26' ' ' THR . 18.3 Cg_endo -75.01 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 6.0 ttt -51.19 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 24' ' ' PRO . 64.4 p -132.38 43.92 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 26' ' ' THR . 67.8 mt -151.86 111.1 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.8 m -72.93 163.03 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.776 ' C ' HD12 ' A' ' 33' ' ' ILE . 20.4 mtt85 -39.02 -57.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -37.98 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . 4.4 tp10 -65.68 -29.65 70.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.2 t -89.86 -26.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.776 HD12 ' C ' ' A' ' 29' ' ' ARG . 4.1 mt -77.12 -44.31 31.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -47.62 -69.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.964 ' HD3' HD11 ' A' ' 57' ' ' LEU . 30.0 mtt85 -45.64 -67.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 57' ' ' LEU . 58.6 mt -38.7 -48.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -54.63 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.07 -14.94 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -18.24 19.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.61 71.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.22 157.08 81.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.05 117.65 4.97 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 33' ' ' ILE . 20.9 pt -55.17 -34.73 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tpt180 -135.11 108.83 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -77.29 -172.48 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -87.1 78.92 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.81 56.69 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 16.8 mt-10 -126.24 163.27 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 50' ' ' ASP . 10.1 t -130.23 -168.05 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.447 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.6 OUTLIER -61.57 -46.99 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.18 -62.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.441 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.8 OUTLIER -40.22 -60.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.45 -55.66 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 20.9 t80 -54.64 -65.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -42.54 -52.45 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NE ' HD13 ' A' ' 45' ' ' LEU . 20.6 ttp85 -46.29 -63.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.964 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -57.21 -50.94 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -46.11 -25.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.594 ' HA ' HD12 ' A' ' 62' ' ' ILE . 20.6 tttt -91.43 -35.13 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -61.6 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -53.95 -41.85 68.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 59' ' ' LYS . 57.6 mt -58.39 -59.3 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -40.15 -63.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 23.1 m -58.24 143.79 78.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.3 Cg_endo -74.99 -36.58 2.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 64.05 129.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 m -59.54 -25.0 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -75.6 148.19 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -133.05 123.12 25.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.23 159.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.77 160.05 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.541 ' O ' HD21 ' A' ' 14' ' ' LEU . . . 143.6 95.5 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.8 16.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.2 p -175.14 157.07 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 m -131.14 154.01 48.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -179.9 125.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.759 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -133.95 163.81 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.28 153.49 24.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -174.85 113.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -108.4 162.01 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.16 98.24 0.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 m -129.21 105.57 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 110.41 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.13 101.96 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.13 89.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -178.79 100.62 0.21 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' HD23 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.01 -41.42 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.551 1.816 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.2 p 40.22 57.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 12' ' ' PRO . 2.2 pp -150.27 118.03 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 58.55 170.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.5 mt -141.89 102.04 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -165.78 94.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.93 158.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.7 -164.52 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.16 56.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -38.94 -34.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 149.2 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD23 ' CD ' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -149.0 164.3 21.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' CD ' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.04 -175.22 2.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.557 ' HG2' ' CD2' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -67.07 104.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 p -78.47 -53.79 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mt -95.57 133.86 39.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -78.29 164.33 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.96 -59.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -55.8 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -50.49 -23.51 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.581 HG13 ' CB ' ' A' ' 57' ' ' LEU . 31.5 t -94.62 -33.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.738 HG23 ' CG2' ' A' ' 43' ' ' ILE . 80.9 mt -69.0 -37.81 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -53.76 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.0 mtt85 -52.06 -61.41 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 36' ' ' LEU . 25.5 mt -39.44 -56.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -59.87 3.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.96 -31.17 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -30.32 63.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.64 -2.41 49.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.57 160.0 78.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.738 ' CG2' HG23 ' A' ' 33' ' ' ILE . 28.1 pt -40.86 -43.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -147.53 127.88 13.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.42 169.26 17.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.79 100.47 5.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.08 -18.82 23.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 3.5 mt-10 -67.94 156.95 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -119.49 161.89 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -40.12 -43.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -63.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -46.86 -56.99 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.44 -49.5 67.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.0 t80 -56.74 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -49.25 -49.12 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -43.24 -59.73 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.581 ' CB ' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -61.21 -51.21 69.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.88 -25.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.67 ' HA ' HD12 ' A' ' 62' ' ' ILE . 36.4 tptt -92.27 -35.54 13.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -61.4 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 12.3 mm-40 -55.07 -41.39 71.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 59' ' ' LYS . 36.9 mt -60.98 -55.01 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt -44.73 -64.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.595 HG23 ' HD2' ' A' ' 65' ' ' PRO . 22.5 m -42.55 144.5 0.97 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.2 Cg_endo -75.05 -162.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.08 135.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t 41.11 73.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 177.55 149.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -98.18 62.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.19 -96.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 p 58.34 165.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.29 -150.61 26.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.21 10.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 t -129.34 -58.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.4 t -88.43 152.59 21.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 p -173.49 163.54 4.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.0 p 179.35 169.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.94 -149.44 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p 178.74 140.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.968 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p -169.52 169.63 8.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.71 145.78 4.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 8' ' ' THR . 12.6 t -171.34 113.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.743 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.74 140.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.936 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 t -174.42 113.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -163.63 85.8 1.28 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.86 6.0 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.754 ' C ' HD12 ' A' ' 14' ' ' LEU . 9.9 p -173.82 137.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.754 HD12 ' C ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -137.45 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.39 82.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.84 101.26 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -175.52 157.61 2.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -84.23 143.59 29.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.7 105.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -130.26 27.61 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.37 -32.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' GLU . 7.5 pttt 46.7 -171.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.5 OUTLIER -148.89 160.26 35.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.1 Cg_endo -75.08 170.41 20.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -38.59 138.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p -131.31 -48.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.45 144.92 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' ARG . 40.8 m -92.67 167.15 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.0 -67.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -48.69 -54.29 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -51.35 -25.2 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.604 HG13 ' HB3' ' A' ' 57' ' ' LEU . 56.0 t -92.59 -35.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 43' ' ' ILE . 67.6 mt -66.75 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -72.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.814 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.6 mtt85 -46.66 -63.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.531 ' CD2' HD12 ' A' ' 60' ' ' ILE . 92.3 mt -39.25 -65.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -44.52 -53.59 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.58 -31.0 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -88.61 -1.51 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.95 12.22 83.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' HD13 ' A' ' 60' ' ' ILE . 40.2 mm-40 -78.39 156.82 78.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.79 5.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' CG2' HG23 ' A' ' 33' ' ' ILE . 6.0 pt -53.42 -24.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -142.28 129.72 21.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD12 ' NE ' ' A' ' 56' ' ' ARG . 1.8 mt -91.41 -168.43 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -72.51 87.34 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 56.32 10.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.7 mt-10 -109.19 133.01 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ASP . 14.3 t -85.65 158.66 20.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.87 -43.36 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -63.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -44.12 62.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.18 86.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 4.9 t80 -59.15 -42.65 91.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.5 -56.25 24.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.712 ' NE ' HD12 ' A' ' 45' ' ' LEU . 6.2 ttm-85 -38.76 -61.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.814 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -58.67 -52.29 66.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.68 -25.05 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.702 ' HA ' HD12 ' A' ' 62' ' ' ILE . 14.0 tttt -92.29 -35.91 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 36' ' ' LEU . 24.8 mt -61.56 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 9.9 mm-40 -52.0 -40.07 60.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 59' ' ' LYS . 37.0 mt -60.52 -59.59 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 mt -40.89 -66.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.759 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -38.32 146.58 0.29 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.759 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.3 Cg_endo -74.97 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -38.99 119.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 m -72.8 83.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -62.61 146.49 51.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.39 176.41 9.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.79 100.89 1.99 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -150.99 158.0 43.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.33 95.94 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 71.03 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.2 p -124.13 147.02 48.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.01 -58.07 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 t -175.15 132.85 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -178.15 166.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.29 116.01 1.01 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -174.11 118.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.953 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -176.01 168.49 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.02 83.95 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.11 108.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -171.54 105.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.2 p -177.16 124.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -163.61 93.8 1.08 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 111.034 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t 42.89 90.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -175.21 66.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -169.02 159.16 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.85 125.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -132.25 134.72 45.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -150.73 155.93 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.44 -169.6 3.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 75.62 173.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 38.99 34.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.97 164.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -57.5 159.06 9.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.576 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -74.99 -174.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.547 ' HG2' ' CD2' ' A' ' 54' ' ' PHE . 1.4 mtm -61.31 142.89 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.7 p -126.23 -42.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.15 132.57 47.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.19 166.32 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.77 -55.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 29' ' ' ARG . 1.1 tt0 -61.9 -50.03 73.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.56 -29.39 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 54' ' ' PHE . 46.3 t -88.08 -35.35 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 43' ' ' ILE . 38.8 mt -65.18 -42.69 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.691 ' HD3' HD11 ' A' ' 57' ' ' LEU . 5.2 mtt-85 -50.15 -62.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 32' ' ' VAL . 81.8 mt -39.72 -54.76 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -51.16 -44.05 61.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ARG . 38.0 mt-10 -73.22 -19.0 61.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.49 5.17 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 9.91 52.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.78 156.65 74.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.68 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 33' ' ' ILE . 12.1 pt -53.11 -26.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -139.42 136.23 34.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.527 HD12 ' CD ' ' A' ' 56' ' ' ARG . 4.9 mt -103.4 -172.06 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.28 97.58 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 57.6 7.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 2.7 mt-10 -117.31 152.61 34.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 51' ' ' TYR . 10.3 t -116.57 -158.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -69.92 -44.88 68.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' H ' HG23 ' A' ' 49' ' ' THR . 0.1 OUTLIER -65.01 -58.39 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -49.8 -57.23 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.29 -47.85 68.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.714 ' HA ' HG21 ' A' ' 32' ' ' VAL . 2.4 t80 -58.1 -63.51 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -46.86 -42.06 16.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.527 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.6 ttm-85 -50.91 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.691 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -58.31 -52.57 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.67 -25.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 12.5 tttt -92.46 -35.84 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.2 mt -62.11 -39.54 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 57' ' ' LEU . 52.0 mm-40 -60.91 -30.2 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.62 -54.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.7 mt -51.83 -86.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.49 148.17 0.25 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.472 1.775 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 53.97 87.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 p -169.84 138.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -149.43 142.19 24.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.04 164.23 9.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.33 -164.72 28.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -149.74 149.12 30.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 0.779 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.69 97.23 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.53 25.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.37 123.95 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.6 m -44.33 120.97 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -179.92 170.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.33 167.8 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.06 177.27 41.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 p -170.48 168.87 7.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.749 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -177.89 166.36 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.23 139.55 3.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -156.01 136.9 13.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.413 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.71 131.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 p 177.16 126.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -173.01 100.02 0.34 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -88.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.0 t 40.64 89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 pp -165.83 100.46 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -176.12 90.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.69 101.62 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -146.78 104.64 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -175.33 158.79 2.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.53 56.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -170.08 52.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.4 39.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 140.74 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 26' ' ' THR . 0.7 OUTLIER -137.17 160.5 65.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 75.05 3.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.442 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER 47.33 95.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 9.6 p -98.81 -31.22 11.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.7 mt -107.52 132.15 53.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -77.16 165.08 25.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 1.5 ppt_? -39.68 -57.17 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 48.2 tt0 -55.69 -50.89 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.22 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 6.4 tp10 -54.0 -23.68 14.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' A' ' 54' ' ' PHE . 42.7 t -94.7 -31.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.73 HG23 HG21 ' A' ' 43' ' ' ILE . 35.4 mt -71.44 -37.52 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -55.2 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.864 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.5 mtt85 -42.63 -65.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 57' ' ' LEU . 94.0 mt -39.06 -58.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -51.47 -54.92 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.68 -12.78 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -94.82 -26.45 16.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.65 32.33 7.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.39 163.05 18.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.73 HG21 HG23 ' A' ' 33' ' ' ILE . 1.1 pt -55.62 -22.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt180 -154.57 116.87 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.74 -172.35 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -87.07 77.2 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.21 45.24 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 3.9 mt-10 -118.28 156.62 28.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 t -121.83 162.98 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 16.5 m-20 -40.51 -36.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -68.43 -64.38 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -49.73 48.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.68 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 5.3 t80 -68.88 -45.88 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.537 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 6.2 mt-30 -54.4 -59.14 5.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 7.7 ttm-85 -38.79 -59.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.864 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 tm? -59.36 -52.28 66.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.63 -25.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' HD12 ' A' ' 62' ' ' ILE . 15.1 tttt -92.34 -35.84 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 mt -61.7 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.5 mm-40 -51.8 -38.05 54.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 59' ' ' LYS . 59.1 mt -63.98 -56.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -58.23 -43.9 87.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.537 HG23 ' HD2' ' A' ' 65' ' ' PRO . 23.6 m -59.07 143.32 84.47 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.3 Cg_endo -75.0 -163.38 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' PRO . 1.2 mt-10 39.0 80.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 65' ' ' PRO . 37.5 t -138.23 104.65 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -45.1 131.87 7.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -45.71 144.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.97 -128.58 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -124.74 -63.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.1 157.25 8.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.3 6.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.4 m 59.09 154.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 p -179.05 85.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 178.83 159.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.964 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -170.91 167.43 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.33 142.57 3.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -175.84 166.82 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.35 147.79 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.31 156.78 10.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 p -116.63 57.48 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.427 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.1 p -173.64 133.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -171.21 89.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -163.51 99.78 0.98 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' C ' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -41.69 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG12 ' C ' ' A' ' 12' ' ' PRO . 14.8 p 43.17 45.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.74 70.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.69 90.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.54 122.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -172.14 138.56 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.32 174.27 15.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.88 68.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -173.86 60.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -99.77 34.68 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -86.2 138.64 31.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.2 164.16 22.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 26' ' ' THR . 18.3 Cg_endo -75.03 179.02 6.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.34 95.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 24' ' ' PRO . 65.7 p -77.19 -40.65 44.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.3 139.53 39.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' ARG . 88.2 p -87.6 160.52 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -37.01 -62.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 3.0 tm0? -48.39 -60.5 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -46.47 -27.68 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.808 HG21 ' HA ' ' A' ' 54' ' ' PHE . 44.1 t -89.34 -34.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.944 HG23 ' CG2' ' A' ' 43' ' ' ILE . 62.5 mt -70.97 -38.45 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -54.83 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.702 ' HD3' HD11 ' A' ' 57' ' ' LEU . 26.0 mtt180 -47.84 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' CD2' HD12 ' A' ' 60' ' ' ILE . 85.2 mt -39.67 -57.15 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -47.37 -59.36 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -33.83 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' NH1' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -77.32 -11.5 59.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.22 3.75 88.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.58 156.72 82.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.78 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.944 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -51.61 -39.56 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.592 HH12 ' N ' ' A' ' 50' ' ' ASP . 4.5 tpt180 -135.17 129.79 34.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CD ' ' A' ' 56' ' ' ARG . 6.6 mt -98.71 169.18 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.71 104.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -25.09 14.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -45.81 112.34 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 52' ' ' ASP . 4.4 t -75.81 160.5 29.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.592 ' N ' HH12 ' A' ' 44' ' ' ARG . 41.6 t0 -42.12 -56.0 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -36.45 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' N ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -58.15 -59.13 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.39 -49.85 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.808 ' HA ' HG21 ' A' ' 32' ' ' VAL . 3.9 t80 -55.28 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -53.0 -45.17 67.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CD ' HD12 ' A' ' 45' ' ' LEU . 2.5 ttm-85 -49.55 -58.55 5.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.702 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 tm? -62.48 -50.97 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.74 -25.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 62' ' ' ILE . 19.6 tttt -92.07 -35.7 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 63' ' ' LEU . 22.9 mt -61.19 -46.02 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 62.9 mm-40 -53.96 -40.12 66.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 59' ' ' LYS . 71.9 mt -58.73 -61.07 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 60' ' ' ILE . 2.1 mt -42.4 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 64' ' ' THR . 13.6 t -38.1 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 63' ' ' LEU . 18.5 Cg_endo -74.96 -32.71 5.21 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.32 93.5 3.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -137.68 -69.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -172.14 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.96 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.52 93.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 p -159.94 109.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 109.979 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -43.23 102.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 61.14 5.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.771 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.0 t -87.1 167.4 14.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 m 61.12 149.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -176.28 150.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.61 164.71 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.52 -173.12 44.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.36 -58.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.49 117.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.64 -105.59 0.34 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.7 p -119.52 91.24 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 0.807 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.69 85.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -176.38 -73.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' SER . 10.5 p-10 -40.52 101.02 0.23 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.81 5.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 p -95.35 142.66 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 14' ' ' LEU . 1.5 tm? -139.45 69.56 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -134.25 148.28 50.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.35 -140.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 55.27 98.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -161.05 134.71 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' GLU . . . -175.32 -175.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER 85.79 79.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -46.88 -24.79 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -157.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.909 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 62.01 151.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.909 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.5 Cg_endo -75.0 -165.5 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.58 112.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 24' ' ' PRO . 21.3 p -101.31 -39.95 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -102.49 127.09 49.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.51 164.2 26.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -41.14 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 1.1 tt0 -57.17 -44.94 84.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.07 -25.56 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG13 ' HB3' ' A' ' 57' ' ' LEU . 57.7 t -93.64 -33.67 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.601 HG23 ' CG2' ' A' ' 43' ' ' ILE . 73.5 mt -66.9 -38.38 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.34 -61.56 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 57' ' ' LEU . 72.0 mt -40.49 -52.56 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -56.83 -57.11 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -15.32 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -95.38 -13.45 24.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.18 4.52 86.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE2' HD13 ' A' ' 60' ' ' ILE . 2.9 mm-40 -79.87 157.05 74.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -74.99 117.97 5.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.601 ' CG2' HG23 ' A' ' 33' ' ' ILE . 31.0 pt -50.3 -36.34 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -138.16 117.18 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 5.0 mp -83.87 -172.05 3.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -78.47 82.08 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.74 55.64 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' OE2' HD13 ' A' ' 45' ' ' LEU . 4.6 mt-10 -120.34 111.78 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -73.93 158.15 34.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -40.48 -52.49 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -39.72 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -60.51 -56.37 22.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -41.35 78.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 3.6 t80 -59.67 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -53.29 -32.86 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' NE ' HD13 ' A' ' 45' ' ' LEU . 35.8 ttp85 -61.1 -60.86 3.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.6 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -59.02 -51.43 70.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.27 -25.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 62' ' ' ILE . 18.0 tttt -92.56 -36.3 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . 75.6 mt -60.75 -43.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 56.1 mm-40 -52.58 -24.82 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 59' ' ' LYS . 15.0 mt -87.67 -61.21 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.3 mt -41.18 -47.1 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -39.42 146.46 0.36 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.417 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 64' ' ' THR . 18.1 Cg_endo -75.01 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 73.74 56.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.7 t 62.92 137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 4.2 p-10 -175.73 130.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.52 93.94 5.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -166.4 78.73 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 p -64.78 87.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 0.724 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.33 89.3 0.56 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.88 17.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.9 t -117.42 -50.55 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.19 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 61.51 118.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 p -172.77 126.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.24 150.82 7.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -178.34 154.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.87 161.14 2.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.85 130.89 1.25 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m -133.49 151.31 51.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 t -110.65 149.02 31.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.65 132.88 52.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -155.71 155.94 30.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.747 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.747 HG12 ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.77 178.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.872 HD22 ' C ' ' A' ' 76' ' ' GLY . 4.8 mt 64.31 127.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.28 172.29 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.59 101.23 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.8 169.97 8.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.01 179.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -172.74 147.77 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -158.63 55.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.25 36.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.46 162.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.36 162.65 31.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.39 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.448 1.762 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 113.55 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -98.01 -42.72 7.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.56 124.54 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -81.53 165.66 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -37.17 -67.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -52.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.88 -25.44 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.865 HG21 ' HA ' ' A' ' 54' ' ' PHE . 24.9 t -92.67 -31.32 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.717 HG23 HG22 ' A' ' 43' ' ' ILE . 17.8 mt -70.55 -40.2 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -52.07 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' NH1' ' CD ' ' A' ' 61' ' ' GLU . 1.6 mtt-85 -55.4 -61.55 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.713 HD12 HG12 ' A' ' 32' ' ' VAL . 65.9 mt -39.04 -59.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -44.69 -58.14 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.71 -37.87 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -1.9 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.51 7.08 72.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.03 156.7 82.06 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HG2' HD11 ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.99 117.78 5.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.717 HG22 HG23 ' A' ' 33' ' ' ILE . 25.6 pt -45.95 -43.32 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -140.71 124.58 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD13 ' NE ' ' A' ' 56' ' ' ARG . 5.0 mp -83.56 -172.83 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -90.4 78.24 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.99 52.0 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 52' ' ' ASP . 7.6 mt-10 -139.64 163.21 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.17 -168.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.73 -47.13 83.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -69.93 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 2.8 t0 -43.29 -50.06 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.99 77.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.865 ' HA ' HG21 ' A' ' 32' ' ' VAL . 3.6 t80 -54.76 -52.43 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -56.85 -38.52 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.587 ' NE ' HD13 ' A' ' 45' ' ' LEU . 20.0 ttp85 -55.58 -59.21 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.585 ' CB ' HG13 ' A' ' 32' ' ' VAL . 1.7 tm? -58.52 -52.78 64.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.07 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 62' ' ' ILE . 13.6 tptt -92.52 -35.41 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 11.4 mt -61.98 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' HG2' HD22 ' A' ' 57' ' ' LEU . 57.2 mm-40 -53.67 -42.09 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 59' ' ' LYS . 50.9 mt -59.21 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -47.59 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.671 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.7 m -45.76 145.56 2.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.4 Cg_endo -75.04 -60.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.15 112.87 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.9 p -166.9 124.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.7 94.54 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 110.3 10.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.56 107.78 3.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.86 166.45 19.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.73 -146.54 4.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.41 29.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.2 p -162.26 95.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t 58.94 81.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.872 ' C ' HD22 ' A' ' 14' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -166.29 164.52 17.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.958 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m 63.15 138.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.5 112.99 2.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -179.88 155.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.744 . . . . 0.0 110.021 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 176.1 143.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.34 170.75 34.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -167.07 149.41 6.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 110.401 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.02 156.17 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p 179.41 161.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -173.46 99.91 0.32 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.554 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -40.01 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.747 HG22 ' H ' ' A' ' 14' ' ' LEU . 2.2 p 45.25 -170.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.747 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -172.33 129.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -159.47 102.07 1.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.51 122.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.53 136.04 10.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -134.56 178.03 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.96 84.17 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.61 173.81 5.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 40.5 36.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -50.02 166.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.44 155.5 36.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.03 6.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -51.23 143.47 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -130.72 -50.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -100.5 136.97 39.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ARG . 19.7 p -82.45 165.54 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.062 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.85 -67.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -49.08 -48.96 43.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -56.06 -24.44 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.648 HG13 ' HB3' ' A' ' 57' ' ' LEU . 53.8 t -94.45 -33.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.843 HG23 ' CG2' ' A' ' 43' ' ' ILE . 68.0 mt -66.98 -38.24 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -51.79 -67.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.569 HH11 HD11 ' A' ' 57' ' ' LEU . 1.9 mpt_? -52.83 -59.7 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.626 ' CD1' HG12 ' A' ' 32' ' ' VAL . 80.2 mt -40.46 -67.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -42.56 -52.74 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -34.61 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' CZ ' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER -83.47 -5.95 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 9.35 87.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CD ' HD13 ' A' ' 60' ' ' ILE . 8.2 mm-40 -77.68 156.43 80.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.843 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -55.26 -41.84 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -135.3 113.71 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.96 -171.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -93.35 75.8 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.78 49.3 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.95 175.84 5.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 p -129.91 -168.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.27 -23.25 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.9 -38.04 12.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.86 -50.88 70.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.83 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.6 t80 -61.34 -63.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -49.84 -34.6 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -57.6 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.648 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -60.01 -51.26 70.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.98 -24.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.488 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.8 tppt? -92.58 -35.53 13.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.454 HD13 ' CD ' ' A' ' 41' ' ' GLU . 89.3 mt -61.96 -45.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.745 ' O ' HG11 ' A' ' 67' ' ' VAL . 45.4 mm-40 -51.47 -37.32 48.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 59' ' ' LYS . 59.5 mt -63.45 -60.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' THR . 22.7 mt -44.43 -84.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.433 HG21 ' CZ ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -38.41 147.94 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 39.26 81.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.745 HG11 ' O ' ' A' ' 61' ' ' GLU . 7.4 p -172.12 60.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -88.23 104.93 17.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.242 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -145.16 131.22 19.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -45.46 142.94 3.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.74 -58.79 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.47 157.28 7.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.65 26.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.37 145.21 26.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t 61.27 86.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p 179.77 167.98 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 p -177.03 168.2 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.26 -178.15 36.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.566 1.166 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.47 162.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.958 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.79 165.71 25.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.78 125.03 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.0 p -131.45 147.98 52.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p 177.54 105.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.49 133.17 2.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -110.81 116.02 52.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.18 4.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.1 p -172.85 118.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -151.42 95.75 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -178.04 96.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mt -96.16 12.17 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 62.33 148.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -50.41 162.73 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.27 107.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -128.69 174.52 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 39.14 36.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.63 176.04 7.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.04 163.36 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -175.7 2.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -58.45 103.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -80.12 -49.11 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD12 ' HG2' ' A' ' 58' ' ' ARG . 1.5 mt -93.09 128.01 38.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -65.95 160.27 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.36 -62.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -41.21 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.31 -23.55 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 54' ' ' PHE . 4.8 t -93.63 -33.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.732 HG23 ' CG2' ' A' ' 43' ' ' ILE . 74.1 mt -69.52 -39.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -51.69 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' A' ' 57' ' ' LEU . 14.6 mtt85 -44.16 -65.68 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.581 HD21 ' HB2' ' A' ' 57' ' ' LEU . 96.2 mt -39.33 -50.55 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -57.28 -60.29 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -39.71 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -23.51 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.26 2.3 60.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.54 ' OE2' HD13 ' A' ' 60' ' ' ILE . 1.8 mm-40 -76.62 157.98 81.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.22 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.03 117.82 5.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.732 ' CG2' HG23 ' A' ' 33' ' ' ILE . 22.8 pt -47.55 -40.86 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -135.64 116.2 13.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD22 ' OE2' ' A' ' 48' ' ' GLU . 4.8 mp -80.32 148.32 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.67 113.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' GLU . . . 88.45 -40.85 3.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' OE2' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -38.93 139.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -94.37 154.86 17.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -49.25 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -40.91 75.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' THR . 1.7 t0 -60.36 -46.8 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.36 -40.29 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 25' ' ' MET . 4.8 t80 -68.91 -59.92 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.28 -45.82 62.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -52.64 -58.64 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.741 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -59.42 -50.14 75.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -48.56 -23.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -92.91 -29.52 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.54 HD13 ' OE2' ' A' ' 41' ' ' GLU . 71.1 mt -68.93 -47.34 76.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -50.35 -28.03 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 62' ' ' ILE . 4.2 mm -61.08 -51.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mt -43.21 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 t -40.69 145.89 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -162.96 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.04 145.75 49.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.757 HG13 ' N ' ' A' ' 68' ' ' ASN . 1.4 p -133.25 -153.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.757 ' N ' HG13 ' A' ' 67' ' ' VAL . 89.7 m-20 -65.71 112.88 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -157.99 139.22 13.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.54 123.77 6.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.82 157.56 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.33 87.81 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.22 29.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.793 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 p -173.76 162.07 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -109.09 154.84 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p 177.71 147.94 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -171.71 172.81 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.43 151.26 8.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -171.0 154.62 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.31 142.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.24 114.36 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 p -89.37 150.94 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 p -176.11 145.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.8 t -177.28 147.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.56 149.87 71.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.1 p 40.43 56.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -124.88 100.23 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -164.33 124.27 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.61 105.51 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.24 131.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.55 143.24 45.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.57 -162.66 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 68.15 68.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' OE2' HD11 ' A' ' 62' ' ' ILE . 8.1 mm-40 -98.37 35.53 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -161.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.94 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 62.49 150.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.94 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.08 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 1.6 ttt -59.93 102.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 24' ' ' PRO . 27.2 p -83.23 -43.79 15.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -101.87 111.93 24.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -66.62 167.69 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.85 -67.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -50.28 31.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 24.8 tp10 -54.67 -23.88 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HD12 ' A' ' 57' ' ' LEU . 8.4 t -94.88 -32.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.879 HG23 HG21 ' A' ' 43' ' ' ILE . 89.4 mt -69.74 -37.56 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -53.08 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.1 mtt85 -55.55 -62.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 HG12 ' A' ' 32' ' ' VAL . 98.1 mt -39.8 -44.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -58.54 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.33 -34.83 69.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -66.6 -18.78 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 4.67 83.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.49 158.55 54.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.12 7.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.879 HG21 HG23 ' A' ' 33' ' ' ILE . 2.5 pt -52.58 -35.08 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -129.45 133.5 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -82.96 -172.61 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -76.48 73.96 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.6 50.75 2.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 1.8 mt-10 -104.88 164.2 11.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 52' ' ' ASP . 5.8 t -116.07 161.01 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.5 m-20 -40.36 -51.51 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.69 -62.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -46.85 -57.6 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.36 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 25' ' ' MET . 4.7 t80 -57.8 -55.43 34.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -55.95 -36.94 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -55.57 -58.9 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.672 HD12 HG22 ' A' ' 32' ' ' VAL . 1.6 tm? -61.59 -50.5 72.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.86 -24.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.708 ' HA ' HD12 ' A' ' 62' ' ' ILE . 2.5 ttpt -92.4 -35.28 13.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 67.6 mt -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 59' ' ' LYS . 46.2 mt -64.14 -48.76 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -68.07 -64.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.0 m -38.5 146.15 0.31 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.441 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.2 Cg_endo -74.95 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.49 112.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.2 t -137.3 88.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -82.53 99.98 9.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -101.42 146.5 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.16 141.02 15.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.58 168.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.49 -158.76 23.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.04 42.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.07 103.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 m -109.41 -57.76 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -170.11 -59.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 p -41.4 156.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.06 76.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.23 115.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.975 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -177.2 126.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.973 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.59 135.92 6.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.88 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -173.65 164.69 4.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.6 t 177.2 111.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -164.37 95.96 0.95 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.74 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.94 -46.98 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.77 178.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.7 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -134.38 -150.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' H ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER 43.65 69.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.59 -140.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 41.69 79.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -172.75 144.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.03 -173.04 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 79.87 55.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 23' ' ' LEU . 4.1 pt-20 -98.03 39.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -63.48 145.24 56.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -136.72 154.51 76.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 77.82 3.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 37.75 86.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.048 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.3 p -71.68 -40.39 69.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.02 131.09 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' ARG . 39.2 m -83.42 167.6 17.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.8 -62.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -54.52 -46.76 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -57.51 -24.57 56.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 54' ' ' PHE . 5.0 t -94.42 -32.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' ARG . 23.8 mt -68.69 -37.77 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.776 ' HD3' HD11 ' A' ' 57' ' ' LEU . 14.0 mtt85 -43.04 -63.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.241 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 57' ' ' LEU . 22.4 mt -39.7 -66.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -46.91 -51.69 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.83 -21.65 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -90.95 -21.38 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 17.8 37.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -92.47 157.65 39.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.7 5.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.403 ' CG2' HG23 ' A' ' 33' ' ' ILE . 34.5 pt -54.32 -38.25 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 49' ' ' THR . 2.4 tpt180 -138.59 111.33 7.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.475 HD12 ' CD ' ' A' ' 48' ' ' GLU . 2.1 mt -70.49 -171.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -83.81 72.66 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.6 50.83 0.68 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 mt-10 -115.97 165.98 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' NH1' ' A' ' 44' ' ' ARG . 14.9 t -130.15 163.95 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -46.8 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -60.48 -61.52 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -55.41 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.96 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 32' ' ' VAL . 4.0 t80 -59.07 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.76 -54.09 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.05 -60.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.776 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -60.79 -51.12 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -45.47 -25.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.9 tttt -92.3 -36.17 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 52.8 mt -60.75 -44.16 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -55.47 -39.22 70.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 59' ' ' LYS . 54.2 mt -65.29 -46.69 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.7 mt -45.46 -82.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 6.3 t -51.61 145.95 14.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' O ' HG12 ' A' ' 67' ' ' VAL . 18.4 Cg_endo -74.96 -70.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.523 1.802 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -41.29 120.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 65' ' ' PRO . 7.5 p -158.75 120.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.07 112.46 7.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.01 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.21 164.21 21.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -91.15 116.83 29.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.7 -121.85 4.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 138.62 23.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.787 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.49 166.46 27.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.6 p -175.93 143.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.65 152.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.797 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -147.31 124.14 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.21 66.4 1.66 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 179.78 143.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -75.19 -59.43 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.43 67.74 1.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.3 m -146.38 -62.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 0.736 . . . . 0.0 110.446 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -165.17 148.77 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.5 p -140.87 86.75 2.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.8 98.94 0.39 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -88.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t 40.5 89.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.67 55.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -170.16 157.43 6.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -142.71 103.77 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.49 84.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.682 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 4.6 mp -53.86 156.42 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . 82.93 72.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.97 71.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.14 -22.19 27.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 176.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.762 HD23 HG21 ' A' ' 26' ' ' THR . 0.1 OUTLIER 66.36 152.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 1.1 ttt -44.65 107.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.912 ' O ' HD23 ' A' ' 27' ' ' LEU . 5.5 p -149.22 37.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 26' ' ' THR . 32.2 mt -142.34 111.25 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' ARG . 28.5 m -69.85 161.78 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.81 -57.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -46.54 76.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -58.09 -26.41 62.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 57' ' ' LEU . 69.0 t -92.3 -32.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.543 HG23 ' CG2' ' A' ' 43' ' ' ILE . 57.7 mt -67.79 -40.22 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HD3' HD11 ' A' ' 57' ' ' LEU . 2.0 mpt_? -41.88 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 57' ' ' LEU . 64.6 mt -39.8 -65.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.504 ' NH1' ' CG2' ' A' ' 33' ' ' ILE . 7.4 mtt85 -46.08 -52.77 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.74 -29.67 64.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -18.04 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.17 6.51 63.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -76.48 156.9 83.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.47 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.543 ' CG2' HG23 ' A' ' 33' ' ' ILE . 35.7 pt -51.35 -40.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 43' ' ' ILE . 1.6 tpt85 -138.01 115.21 10.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mt -74.57 -170.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.78 70.48 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.16 53.32 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.42 166.25 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.248 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 52' ' ' ASP . 9.0 t -130.17 -178.73 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -47.33 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -62.57 -62.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -47.39 -56.98 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.76 59.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 25' ' ' MET . 27.3 t80 -59.77 -65.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -42.24 -46.81 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -46.99 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.577 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.78 -24.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.3 tttt -92.34 -35.56 13.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -61.38 -45.49 98.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.38 -37.25 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.34 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.73 -60.83 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.8 m -126.67 112.83 22.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -163.06 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.22 120.5 42.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.07 -58.75 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -168.67 143.59 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.75 140.53 56.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.08 -103.07 0.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.9 m -115.62 -57.44 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.56 -160.32 29.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -53.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 t -135.34 151.82 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 p -69.04 119.4 13.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -173.72 116.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -121.15 -63.35 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.5 118.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 p 179.19 128.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -174.11 143.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.02 130.63 6.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 8' ' ' THR . 10.0 t -175.14 103.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.443 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -172.82 145.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.3 t 177.73 128.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.9 t30 176.48 91.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.738 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 -44.89 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.738 HG12 ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.78 178.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.705 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -126.2 -146.14 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 179.24 138.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.28 -140.24 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 46.99 95.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.29 154.26 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.69 92.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -106.99 52.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -96.71 35.17 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.36 -178.36 4.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 66.51 167.59 0.12 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.01 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.93 104.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 24' ' ' PRO . 76.0 p -83.55 -47.44 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.34 111.14 23.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -66.97 167.63 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -64.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -45.71 49.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -58.79 -24.28 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.827 HG21 ' HA ' ' A' ' 54' ' ' PHE . 31.9 t -94.84 -33.18 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.577 HG23 HG21 ' A' ' 43' ' ' ILE . 11.5 mt -68.76 -36.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -54.89 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.665 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.5 mtt85 -50.54 -62.35 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.594 HD12 HG12 ' A' ' 32' ' ' VAL . 92.3 mt -39.54 -65.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -44.71 -54.14 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -37.88 64.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -17.28 59.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.37 10.33 65.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.14 157.11 68.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -75.0 119.43 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.577 HG21 HG23 ' A' ' 33' ' ' ILE . 21.0 pt -54.3 -35.52 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' N ' HG13 ' A' ' 43' ' ' ILE . 2.9 tpt180 -135.45 106.31 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.8 mp -71.44 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -168.84 102.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.73 -28.97 6.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -42.66 104.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.1 t -76.28 169.21 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -39.31 -38.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -65.36 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -45.18 -53.35 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.27 64.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.827 ' HA ' HG21 ' A' ' 32' ' ' VAL . 6.4 t80 -59.62 -42.19 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -59.07 -58.03 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -39.17 -63.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.665 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -54.95 -49.95 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.16 -35.46 13.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.473 HD12 ' CD2' ' A' ' 36' ' ' LEU . 42.0 mt -61.09 -46.23 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 13.6 mm-40 -53.52 -44.56 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.8 mt -58.17 -57.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -49.18 -66.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.753 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.5 m -41.87 146.52 0.6 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.753 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.4 Cg_endo -74.98 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 39.25 73.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.72 HG23 ' N ' ' A' ' 68' ' ' ASN . 4.4 m -72.74 -143.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.72 ' N ' HG23 ' A' ' 67' ' ' VAL . 37.3 t30 -109.25 92.76 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -52.15 123.34 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.71 -101.7 0.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 t 59.93 117.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.64 157.11 22.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.0 37.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.9 p 176.23 -65.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.81 118.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -138.67 113.42 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -149.68 -56.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.959 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.1 -117.07 3.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m 63.9 169.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 110.071 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m 63.41 136.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.07 179.35 43.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.7 p -136.27 81.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 t -178.33 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.024 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.3 p 179.28 112.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -49.6 138.69 16.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.09 4.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.701 ' O ' HG12 ' A' ' 13' ' ' VAL . 25.2 t -149.48 69.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -172.55 125.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -167.26 52.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -126.62 -140.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' H ' HD12 ' A' ' 16' ' ' LEU . 20.8 mt-10 55.02 99.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.27 175.54 10.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.91 71.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 2.9 pt-20 -144.99 -165.2 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 5.8 tt0 83.94 -45.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' NZ ' HD11 ' A' ' 62' ' ' ILE . 0.1 OUTLIER 52.03 174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' A' ' 26' ' ' THR . 0.6 OUTLIER -152.75 162.91 25.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.431 ' CD ' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.02 96.72 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.432 1.754 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 49.44 100.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 23' ' ' LEU . 46.2 p -126.25 1.5 7.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 26' ' ' THR . 2.5 mt -134.83 135.61 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -84.92 166.54 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.532 ' HG2' HD11 ' A' ' 33' ' ' ILE . 14.1 ttm180 -39.04 -61.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.7 -46.86 70.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.26 -24.78 57.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG13 ' HB3' ' A' ' 57' ' ' LEU . 58.0 t -94.03 -32.86 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 29' ' ' ARG . 56.5 mt -69.76 -38.03 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.858 ' HD3' HD11 ' A' ' 57' ' ' LEU . 16.4 mtt85 -45.13 -65.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD2' HD12 ' A' ' 60' ' ' ILE . 95.4 mt -39.88 -54.91 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -54.52 -59.95 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -43.35 63.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -36.01 79.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.65 44.26 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -115.31 163.0 21.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.543 1.812 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.511 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.2 pt -58.6 -31.23 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.73 94.94 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.52 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -156.27 81.04 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.32 18.37 53.14 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.27 121.2 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.3 p -70.12 -168.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -73.69 -24.79 59.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -31.98 15.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.94 -43.86 74.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -27.91 61.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 15.0 t80 -71.09 -67.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -41.16 -31.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -65.88 -59.6 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.858 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.57 -51.0 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.81 -25.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -92.18 -35.63 13.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.593 HD12 ' CD2' ' A' ' 36' ' ' LEU . 16.1 mt -61.79 -46.43 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -50.11 -31.8 14.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.448 HD11 ' NZ ' ' A' ' 22' ' ' LYS . 61.2 mt -67.73 -57.51 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.5 mt -48.83 -63.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -120.65 91.76 47.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.35 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.34 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.1 148.4 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.9 p -78.99 -40.99 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.41 117.19 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -44.91 125.56 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.3 -116.58 2.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -59.15 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.52 157.72 8.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.68 12.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -124.69 89.62 3.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 p -147.66 166.92 25.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.138 . . . . 0.0 111.031 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -107.7 118.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -73.42 167.62 20.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -39.73 -55.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 13.9 tt0 -57.93 -45.68 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.95 -24.54 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG21 ' HA ' ' A' ' 54' ' ' PHE . 3.3 t -91.71 -31.55 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.776 HG23 ' CG2' ' A' ' 43' ' ' ILE . 41.3 mt -70.07 -44.77 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.11 -62.75 1.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' HD3' HD11 ' A' ' 57' ' ' LEU . 11.1 mtt85 -58.26 -62.62 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD12 HG12 ' A' ' 32' ' ' VAL . 90.4 mt -40.49 -46.84 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.49 -62.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.99 -17.34 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -14.89 28.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.33 9.89 81.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' OE2' HD13 ' A' ' 60' ' ' ILE . 5.8 mm-40 -79.84 156.63 74.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.776 ' CG2' HG23 ' A' ' 33' ' ' ILE . 13.3 pt -58.38 -23.27 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 4.5 tpt180 -153.1 112.5 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD12 ' OE1' ' A' ' 48' ' ' GLU . 1.9 mt -74.4 -171.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -86.93 67.62 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.67 51.46 0.34 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.627 ' OE1' HD12 ' A' ' 45' ' ' LEU . 4.8 mt-10 -121.59 164.23 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -130.12 177.03 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.27 -46.66 55.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -61.82 -62.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -55.02 7.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.17 81.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.763 ' HA ' HG21 ' A' ' 32' ' ' VAL . 10.2 t80 -56.63 -60.83 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -50.93 -48.12 60.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -47.99 -59.62 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.735 HD12 HG22 ' A' ' 32' ' ' VAL . 1.6 tm? -62.59 -50.6 70.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.66 -25.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' LEU . 15.2 tttt -92.13 -35.88 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' LEU . 37.0 mt -60.99 -45.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 14.9 mm-40 -53.99 -27.32 30.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.8 mt -76.58 -58.48 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.32 136.22 47.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -76.03 160.98 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.06 -57.62 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -48.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.57 -23.58 41.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 54' ' ' PHE . 71.9 t -94.71 -30.44 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.741 HG23 HG21 ' A' ' 43' ' ' ILE . 89.1 mt -73.45 -37.74 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -53.68 -70.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.918 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.6 mtt85 -48.86 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 57' ' ' LEU . 92.5 mt -39.26 -52.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -59.24 -59.33 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.21 -30.97 29.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -20.3 34.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.58 7.85 62.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.8 mm-40 -78.35 156.71 78.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.741 HG21 HG23 ' A' ' 33' ' ' ILE . 6.3 pt -62.61 -16.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.42 105.23 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -78.97 -177.85 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -53.21 92.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.98 58.53 13.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -102.62 168.71 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -130.1 159.91 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 54' ' ' PHE . 6.7 m-20 -40.34 -45.75 2.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -53.78 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -29.82 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' HG11 ' A' ' 32' ' ' VAL . 10.8 t80 -75.36 -55.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -53.91 -46.46 71.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -50.27 -58.42 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.918 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.51 -50.82 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -24.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 62' ' ' ILE . 17.7 tttt -92.19 -35.71 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.0 mt -61.45 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -51.89 -38.49 56.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 59' ' ' LYS . 67.8 mt -59.98 -54.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.3 mt -97.9 136.92 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 m -82.05 164.94 21.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.488 HH11 ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -40.41 -55.87 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.488 ' NE2' HH11 ' A' ' 29' ' ' ARG . 1.0 OUTLIER -59.1 -43.64 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 12.4 tp10 -60.41 -24.76 65.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 54' ' ' PHE . 40.9 t -94.42 -32.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.416 HG23 ' CG2' ' A' ' 43' ' ' ILE . 68.4 mt -67.78 -38.73 80.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB3' HD21 ' A' ' 57' ' ' LEU . 1.3 mpt_? -51.57 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD1' HG12 ' A' ' 32' ' ' VAL . 69.4 mt -40.6 -61.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -47.79 -53.93 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.98 -26.11 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -12.21 42.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 8.41 83.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.28 156.53 81.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.445 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 117.94 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.9 pt -57.45 -29.13 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 105.23 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD13 ' NE ' ' A' ' 56' ' ' ARG . 4.4 mp -72.18 -78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -154.5 90.82 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.45 29.54 74.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.3 113.05 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -74.67 162.05 29.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' PHE . 23.1 m-20 -40.96 -46.94 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -55.51 32.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -54.59 41.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -57.75 -38.62 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.793 ' HA ' HG21 ' A' ' 32' ' ' VAL . 6.0 t80 -66.22 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -50.41 -36.03 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' NE ' HD13 ' A' ' 45' ' ' LEU . 40.2 ttp85 -58.7 -62.2 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.667 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -58.26 -49.89 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 62' ' ' ILE . 12.6 ttpt -92.31 -35.41 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 36' ' ' LEU . 33.4 mt -61.33 -45.69 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 55.5 mm-40 -51.09 -30.15 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 59' ' ' LYS . 24.0 mt -79.26 -51.34 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.33 140.42 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' ARG . 90.9 p -87.99 164.22 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -36.95 -63.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.97 -52.25 35.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.65 -23.87 19.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 54' ' ' PHE . 77.4 t -94.67 -26.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.764 HG23 HG21 ' A' ' 43' ' ' ILE . 31.5 mt -77.16 -38.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.89 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.807 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.9 mtt85 -45.62 -65.27 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 57' ' ' LEU . 65.8 mt -39.63 -44.39 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -69.21 -53.11 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -14.01 20.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -98.9 -16.26 18.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 -0.41 76.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -76.73 157.3 82.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.0 123.83 8.17 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 33' ' ' ILE . 6.7 pt -65.71 -17.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt85 -145.23 103.58 3.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -79.87 -171.39 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.01 93.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.62 57.64 15.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.1 mt-10 -107.28 121.12 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 t -80.45 160.28 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.43 -52.76 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -50.22 72.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -57.11 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -44.19 79.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 6.3 t80 -57.29 -55.93 28.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -52.93 -57.97 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -39.06 -59.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.807 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -60.96 -51.07 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.21 -24.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' LEU . 39.0 tptt -92.43 -34.92 13.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -62.1 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.39 -57.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.363 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.83 118.32 36.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' ARG . 53.7 m -69.68 164.78 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.94 -64.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.65 -53.72 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -51.31 -24.74 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 54' ' ' PHE . 39.4 t -92.8 -35.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.03 -38.7 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.74 -72.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.71 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.0 mtt85 -47.25 -63.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CD2' HD12 ' A' ' 60' ' ' ILE . 80.3 mt -39.79 -57.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -54.6 -45.31 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -75.1 -1.77 24.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -107.2 -30.54 8.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.55 35.4 4.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.82 165.49 13.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.77 5.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.8 pt -56.72 -22.19 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -153.96 118.76 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -82.61 -177.79 6.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.61 100.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.82 52.97 44.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.8 OUTLIER -107.19 127.49 53.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' ASP . 3.3 t -81.13 156.26 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.0 OUTLIER -40.44 -55.6 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -54.52 -41.47 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.52 -57.13 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.34 76.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 32' ' ' VAL . 2.8 t80 -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -47.2 -50.89 19.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -43.1 -63.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.71 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -56.72 -50.54 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.87 -25.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.699 ' HA ' HD12 ' A' ' 62' ' ' ILE . 16.3 tttt -92.22 -35.71 13.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 36' ' ' LEU . 17.7 mt -61.11 -45.47 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.0 mm-40 -52.85 -20.38 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 59' ' ' LYS . 24.9 mt -86.5 -59.86 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.484 ' O ' HD23 ' A' ' 27' ' ' LEU . 64.4 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 26' ' ' THR . 67.8 mt -151.86 111.1 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.8 m -72.93 163.03 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.776 ' C ' HD12 ' A' ' 33' ' ' ILE . 20.4 mtt85 -39.02 -57.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -37.98 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . 4.4 tp10 -65.68 -29.65 70.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.2 t -89.86 -26.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.776 HD12 ' C ' ' A' ' 29' ' ' ARG . 4.1 mt -77.12 -44.31 31.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -47.62 -69.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.964 ' HD3' HD11 ' A' ' 57' ' ' LEU . 30.0 mtt85 -45.64 -67.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 57' ' ' LEU . 58.6 mt -38.7 -48.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -54.63 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.07 -14.94 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -18.24 19.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.61 71.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.22 157.08 81.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.05 117.65 4.97 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 33' ' ' ILE . 20.9 pt -55.17 -34.73 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tpt180 -135.11 108.83 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -77.29 -172.48 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -87.1 78.92 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.81 56.69 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 16.8 mt-10 -126.24 163.27 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 50' ' ' ASP . 10.1 t -130.23 -168.05 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.447 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.6 OUTLIER -61.57 -46.99 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.18 -62.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.441 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.8 OUTLIER -40.22 -60.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.45 -55.66 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 20.9 t80 -54.64 -65.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -42.54 -52.45 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NE ' HD13 ' A' ' 45' ' ' LEU . 20.6 ttp85 -46.29 -63.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.964 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -57.21 -50.94 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -46.11 -25.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.594 ' HA ' HD12 ' A' ' 62' ' ' ILE . 20.6 tttt -91.43 -35.13 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -61.6 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -53.95 -41.85 68.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 59' ' ' LYS . 57.6 mt -58.39 -59.3 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mt -95.57 133.86 39.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -78.29 164.33 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.96 -59.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -55.8 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -50.49 -23.51 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.581 HG13 ' CB ' ' A' ' 57' ' ' LEU . 31.5 t -94.62 -33.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.738 HG23 ' CG2' ' A' ' 43' ' ' ILE . 80.9 mt -69.0 -37.81 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -53.76 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.0 mtt85 -52.06 -61.41 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 36' ' ' LEU . 25.5 mt -39.44 -56.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -59.87 3.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.96 -31.17 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -30.32 63.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.64 -2.41 49.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.57 160.0 78.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.738 ' CG2' HG23 ' A' ' 33' ' ' ILE . 28.1 pt -40.86 -43.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -147.53 127.88 13.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.42 169.26 17.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.79 100.47 5.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.08 -18.82 23.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 3.5 mt-10 -67.94 156.95 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -119.49 161.89 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -40.12 -43.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -63.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -46.86 -56.99 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.44 -49.5 67.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.0 t80 -56.74 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -49.25 -49.12 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -43.24 -59.73 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.581 ' CB ' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -61.21 -51.21 69.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.88 -25.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.67 ' HA ' HD12 ' A' ' 62' ' ' ILE . 36.4 tptt -92.27 -35.54 13.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -61.4 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 12.3 mm-40 -55.07 -41.39 71.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 59' ' ' LYS . 36.9 mt -60.98 -55.01 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.45 144.92 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' ARG . 40.8 m -92.67 167.15 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.0 -67.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -48.69 -54.29 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -51.35 -25.2 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.604 HG13 ' HB3' ' A' ' 57' ' ' LEU . 56.0 t -92.59 -35.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 43' ' ' ILE . 67.6 mt -66.75 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -72.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.814 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.6 mtt85 -46.66 -63.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.531 ' CD2' HD12 ' A' ' 60' ' ' ILE . 92.3 mt -39.25 -65.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -44.52 -53.59 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.58 -31.0 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -88.61 -1.51 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.95 12.22 83.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' HD13 ' A' ' 60' ' ' ILE . 40.2 mm-40 -78.39 156.82 78.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.79 5.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' CG2' HG23 ' A' ' 33' ' ' ILE . 6.0 pt -53.42 -24.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -142.28 129.72 21.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD12 ' NE ' ' A' ' 56' ' ' ARG . 1.8 mt -91.41 -168.43 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -72.51 87.34 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 56.32 10.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.7 mt-10 -109.19 133.01 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ASP . 14.3 t -85.65 158.66 20.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.87 -43.36 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -63.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -44.12 62.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.18 86.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 4.9 t80 -59.15 -42.65 91.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.5 -56.25 24.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.712 ' NE ' HD12 ' A' ' 45' ' ' LEU . 6.2 ttm-85 -38.76 -61.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.814 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -58.67 -52.29 66.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.68 -25.05 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.702 ' HA ' HD12 ' A' ' 62' ' ' ILE . 14.0 tttt -92.29 -35.91 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 36' ' ' LEU . 24.8 mt -61.56 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 9.9 mm-40 -52.0 -40.07 60.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 59' ' ' LYS . 37.0 mt -60.52 -59.59 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.15 132.57 47.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.19 166.32 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.77 -55.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 29' ' ' ARG . 1.1 tt0 -61.9 -50.03 73.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.56 -29.39 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 54' ' ' PHE . 46.3 t -88.08 -35.35 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 43' ' ' ILE . 38.8 mt -65.18 -42.69 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.691 ' HD3' HD11 ' A' ' 57' ' ' LEU . 5.2 mtt-85 -50.15 -62.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 32' ' ' VAL . 81.8 mt -39.72 -54.76 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -51.16 -44.05 61.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ARG . 38.0 mt-10 -73.22 -19.0 61.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.49 5.17 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 9.91 52.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.78 156.65 74.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.68 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 33' ' ' ILE . 12.1 pt -53.11 -26.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -139.42 136.23 34.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.527 HD12 ' CD ' ' A' ' 56' ' ' ARG . 4.9 mt -103.4 -172.06 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.28 97.58 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 57.6 7.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 2.7 mt-10 -117.31 152.61 34.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 51' ' ' TYR . 10.3 t -116.57 -158.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -69.92 -44.88 68.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' H ' HG23 ' A' ' 49' ' ' THR . 0.1 OUTLIER -65.01 -58.39 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -49.8 -57.23 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.29 -47.85 68.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.714 ' HA ' HG21 ' A' ' 32' ' ' VAL . 2.4 t80 -58.1 -63.51 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -46.86 -42.06 16.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.527 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.6 ttm-85 -50.91 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.691 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -58.31 -52.57 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.67 -25.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 12.5 tttt -92.46 -35.84 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.2 mt -62.11 -39.54 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 57' ' ' LEU . 52.0 mm-40 -60.91 -30.2 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.62 -54.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.7 mt -107.52 132.15 53.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -77.16 165.08 25.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 1.5 ppt_? -39.68 -57.17 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 48.2 tt0 -55.69 -50.89 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.22 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 6.4 tp10 -54.0 -23.68 14.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' A' ' 54' ' ' PHE . 42.7 t -94.7 -31.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.73 HG23 HG21 ' A' ' 43' ' ' ILE . 35.4 mt -71.44 -37.52 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -55.2 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.864 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.5 mtt85 -42.63 -65.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 57' ' ' LEU . 94.0 mt -39.06 -58.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -51.47 -54.92 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.68 -12.78 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -94.82 -26.45 16.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.65 32.33 7.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.39 163.05 18.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.73 HG21 HG23 ' A' ' 33' ' ' ILE . 1.1 pt -55.62 -22.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt180 -154.57 116.87 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.74 -172.35 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -87.07 77.2 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.21 45.24 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 3.9 mt-10 -118.28 156.62 28.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 t -121.83 162.98 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' N ' HH12 ' A' ' 44' ' ' ARG . 16.5 m-20 -40.51 -36.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -68.43 -64.38 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -49.73 48.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.68 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 5.3 t80 -68.88 -45.88 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.537 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 6.2 mt-30 -54.4 -59.14 5.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 7.7 ttm-85 -38.79 -59.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.864 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 tm? -59.36 -52.28 66.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.63 -25.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' HD12 ' A' ' 62' ' ' ILE . 15.1 tttt -92.34 -35.84 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 mt -61.7 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.5 mm-40 -51.8 -38.05 54.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 59' ' ' LYS . 59.1 mt -63.98 -56.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.689 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.7 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.3 139.53 39.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' ARG . 88.2 p -87.6 160.52 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -37.01 -62.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 3.0 tm0? -48.39 -60.5 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -46.47 -27.68 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.808 HG21 ' HA ' ' A' ' 54' ' ' PHE . 44.1 t -89.34 -34.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.944 HG23 ' CG2' ' A' ' 43' ' ' ILE . 62.5 mt -70.97 -38.45 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -54.83 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.702 ' HD3' HD11 ' A' ' 57' ' ' LEU . 26.0 mtt180 -47.84 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' CD2' HD12 ' A' ' 60' ' ' ILE . 85.2 mt -39.67 -57.15 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -47.37 -59.36 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -33.83 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -11.5 59.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.22 3.75 88.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.58 156.72 82.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.78 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.944 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -51.61 -39.56 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.592 HH12 ' N ' ' A' ' 50' ' ' ASP . 4.5 tpt180 -135.17 129.79 34.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CD ' ' A' ' 56' ' ' ARG . 6.6 mt -98.71 169.18 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.71 104.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -25.09 14.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -45.81 112.34 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 52' ' ' ASP . 4.4 t -75.81 160.5 29.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.592 ' N ' HH12 ' A' ' 44' ' ' ARG . 41.6 t0 -42.12 -56.0 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -36.45 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' N ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -58.15 -59.13 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.39 -49.85 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.808 ' HA ' HG21 ' A' ' 32' ' ' VAL . 3.9 t80 -55.28 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -53.0 -45.17 67.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CD ' HD12 ' A' ' 45' ' ' LEU . 2.5 ttm-85 -49.55 -58.55 5.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.702 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 tm? -62.48 -50.97 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.74 -25.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 62' ' ' ILE . 19.6 tttt -92.07 -35.7 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 63' ' ' LEU . 22.9 mt -61.19 -46.02 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 62.9 mm-40 -53.96 -40.12 66.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 59' ' ' LYS . 71.9 mt -58.73 -61.07 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 60' ' ' ILE . 2.1 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -102.49 127.09 49.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.51 164.2 26.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -41.14 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 1.1 tt0 -57.17 -44.94 84.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.07 -25.56 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG13 ' HB3' ' A' ' 57' ' ' LEU . 57.7 t -93.64 -33.67 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.601 HG23 ' CG2' ' A' ' 43' ' ' ILE . 73.5 mt -66.9 -38.38 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.34 -61.56 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 57' ' ' LEU . 72.0 mt -40.49 -52.56 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -56.83 -57.11 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -15.32 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -95.38 -13.45 24.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.18 4.52 86.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE2' HD13 ' A' ' 60' ' ' ILE . 2.9 mm-40 -79.87 157.05 74.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -74.99 117.97 5.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.601 ' CG2' HG23 ' A' ' 33' ' ' ILE . 31.0 pt -50.3 -36.34 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -138.16 117.18 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 5.0 mp -83.87 -172.05 3.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -78.47 82.08 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.74 55.64 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' OE2' HD13 ' A' ' 45' ' ' LEU . 4.6 mt-10 -120.34 111.78 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -73.93 158.15 34.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -40.48 -52.49 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -39.72 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -60.51 -56.37 22.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -41.35 78.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 3.6 t80 -59.67 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -53.29 -32.86 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' NE ' HD13 ' A' ' 45' ' ' LEU . 35.8 ttp85 -61.1 -60.86 3.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.6 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -59.02 -51.43 70.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.27 -25.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 62' ' ' ILE . 18.0 tttt -92.56 -36.3 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . 75.6 mt -60.75 -43.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 56.1 mm-40 -52.58 -24.82 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 59' ' ' LYS . 15.0 mt -87.67 -61.21 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.3 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.56 124.54 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -81.53 165.66 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -37.17 -67.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -52.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.88 -25.44 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.865 HG21 ' HA ' ' A' ' 54' ' ' PHE . 24.9 t -92.67 -31.32 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.717 HG23 HG22 ' A' ' 43' ' ' ILE . 17.8 mt -70.55 -40.2 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -52.07 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' NH1' ' CD ' ' A' ' 61' ' ' GLU . 1.6 mtt-85 -55.4 -61.55 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.713 HD12 HG12 ' A' ' 32' ' ' VAL . 65.9 mt -39.04 -59.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -44.69 -58.14 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.71 -37.87 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -1.9 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.51 7.08 72.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.03 156.7 82.06 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HG2' HD11 ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.99 117.78 5.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.717 HG22 HG23 ' A' ' 33' ' ' ILE . 25.6 pt -45.95 -43.32 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -140.71 124.58 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD13 ' NE ' ' A' ' 56' ' ' ARG . 5.0 mp -83.56 -172.83 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -90.4 78.24 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.99 52.0 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 52' ' ' ASP . 7.6 mt-10 -139.64 163.21 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.17 -168.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.73 -47.13 83.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -69.93 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 2.8 t0 -43.29 -50.06 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.99 77.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.865 ' HA ' HG21 ' A' ' 32' ' ' VAL . 3.6 t80 -54.76 -52.43 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -56.85 -38.52 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.587 ' NE ' HD13 ' A' ' 45' ' ' LEU . 20.0 ttp85 -55.58 -59.21 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.585 ' CB ' HG13 ' A' ' 32' ' ' VAL . 1.7 tm? -58.52 -52.78 64.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.07 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 62' ' ' ILE . 13.6 tptt -92.52 -35.41 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 11.4 mt -61.98 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' HG2' HD22 ' A' ' 57' ' ' LEU . 57.2 mm-40 -53.67 -42.09 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 59' ' ' LYS . 50.9 mt -59.21 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -100.5 136.97 39.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ARG . 19.7 p -82.45 165.54 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.062 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.85 -67.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -49.08 -48.96 43.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -56.06 -24.44 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.648 HG13 ' HB3' ' A' ' 57' ' ' LEU . 53.8 t -94.45 -33.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.843 HG23 ' CG2' ' A' ' 43' ' ' ILE . 68.0 mt -66.98 -38.24 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -51.79 -67.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.569 HH11 HD11 ' A' ' 57' ' ' LEU . 1.9 mpt_? -52.83 -59.7 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.626 ' CD1' HG12 ' A' ' 32' ' ' VAL . 80.2 mt -40.46 -67.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -42.56 -52.74 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -34.61 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.47 -5.95 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 9.35 87.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CD ' HD13 ' A' ' 60' ' ' ILE . 8.2 mm-40 -77.68 156.43 80.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.843 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -55.26 -41.84 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -135.3 113.71 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.96 -171.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -93.35 75.8 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.78 49.3 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.95 175.84 5.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 p -129.91 -168.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.27 -23.25 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.9 -38.04 12.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.86 -50.88 70.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.83 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.6 t80 -61.34 -63.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -49.84 -34.6 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -57.6 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.648 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -60.01 -51.26 70.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.98 -24.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.488 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.8 tppt? -92.58 -35.53 13.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.454 HD13 ' CD ' ' A' ' 41' ' ' GLU . 89.3 mt -61.96 -45.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 45.4 mm-40 -51.47 -37.32 48.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 59' ' ' LYS . 59.5 mt -63.45 -60.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD12 ' HG2' ' A' ' 58' ' ' ARG . 1.5 mt -93.09 128.01 38.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -65.95 160.27 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.36 -62.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -41.21 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.31 -23.55 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 54' ' ' PHE . 4.8 t -93.63 -33.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.732 HG23 ' CG2' ' A' ' 43' ' ' ILE . 74.1 mt -69.52 -39.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -51.69 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' A' ' 57' ' ' LEU . 14.6 mtt85 -44.16 -65.68 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.581 HD21 ' HB2' ' A' ' 57' ' ' LEU . 96.2 mt -39.33 -50.55 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -57.28 -60.29 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -39.71 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -23.51 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.26 2.3 60.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.54 ' OE2' HD13 ' A' ' 60' ' ' ILE . 1.8 mm-40 -76.62 157.98 81.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.22 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.03 117.82 5.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.732 ' CG2' HG23 ' A' ' 33' ' ' ILE . 22.8 pt -47.55 -40.86 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -135.64 116.2 13.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.523 HD22 ' OE2' ' A' ' 48' ' ' GLU . 4.8 mp -80.32 148.32 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.67 113.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' GLU . . . 88.45 -40.85 3.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' OE2' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -38.93 139.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -94.37 154.86 17.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -49.25 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -40.91 75.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' THR . 1.7 t0 -60.36 -46.8 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.36 -40.29 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 4.8 t80 -68.91 -59.92 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.28 -45.82 62.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -52.64 -58.64 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.741 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -59.42 -50.14 75.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -48.56 -23.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -92.91 -29.52 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.54 HD13 ' OE2' ' A' ' 41' ' ' GLU . 71.1 mt -68.93 -47.34 76.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -50.35 -28.03 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 62' ' ' ILE . 4.2 mm -61.08 -51.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -101.87 111.93 24.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -66.62 167.69 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.85 -67.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -50.28 31.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 24.8 tp10 -54.67 -23.88 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HD12 ' A' ' 57' ' ' LEU . 8.4 t -94.88 -32.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.879 HG23 HG21 ' A' ' 43' ' ' ILE . 89.4 mt -69.74 -37.56 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -53.08 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.1 mtt85 -55.55 -62.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 HG12 ' A' ' 32' ' ' VAL . 98.1 mt -39.8 -44.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -58.54 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.33 -34.83 69.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -66.6 -18.78 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 4.67 83.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.49 158.55 54.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.12 7.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.879 HG21 HG23 ' A' ' 33' ' ' ILE . 2.5 pt -52.58 -35.08 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -129.45 133.5 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -82.96 -172.61 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -76.48 73.96 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.6 50.75 2.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 1.8 mt-10 -104.88 164.2 11.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 52' ' ' ASP . 5.8 t -116.07 161.01 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.5 m-20 -40.36 -51.51 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.69 -62.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.438 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -46.85 -57.6 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.36 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 4.7 t80 -57.8 -55.43 34.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -55.95 -36.94 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -55.57 -58.9 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.672 HD12 HG22 ' A' ' 32' ' ' VAL . 1.6 tm? -61.59 -50.5 72.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.86 -24.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.708 ' HA ' HD12 ' A' ' 62' ' ' ILE . 2.5 ttpt -92.4 -35.28 13.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 67.6 mt -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 59' ' ' LYS . 46.2 mt -64.14 -48.76 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.02 131.09 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' ARG . 39.2 m -83.42 167.6 17.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.8 -62.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -54.52 -46.76 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -57.51 -24.57 56.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 54' ' ' PHE . 5.0 t -94.42 -32.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' ARG . 23.8 mt -68.69 -37.77 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.776 ' HD3' HD11 ' A' ' 57' ' ' LEU . 14.0 mtt85 -43.04 -63.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.241 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 57' ' ' LEU . 22.4 mt -39.7 -66.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -46.91 -51.69 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.83 -21.65 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -90.95 -21.38 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 17.8 37.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -92.47 157.65 39.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.7 5.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.403 ' CG2' HG23 ' A' ' 33' ' ' ILE . 34.5 pt -54.32 -38.25 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 49' ' ' THR . 2.4 tpt180 -138.59 111.33 7.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.475 HD12 ' CD ' ' A' ' 48' ' ' GLU . 2.1 mt -70.49 -171.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -83.81 72.66 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.6 50.83 0.68 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 mt-10 -115.97 165.98 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' NH1' ' A' ' 44' ' ' ARG . 14.9 t -130.15 163.95 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -46.8 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -60.48 -61.52 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -55.41 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.96 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 32' ' ' VAL . 4.0 t80 -59.07 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.76 -54.09 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.05 -60.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.776 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -60.79 -51.12 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -45.47 -25.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.9 tttt -92.3 -36.17 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 52.8 mt -60.75 -44.16 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -55.47 -39.22 70.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 59' ' ' LYS . 54.2 mt -65.29 -46.69 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.912 ' O ' HD23 ' A' ' 27' ' ' LEU . 5.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 26' ' ' THR . 32.2 mt -142.34 111.25 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' ARG . 28.5 m -69.85 161.78 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.81 -57.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -46.54 76.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -58.09 -26.41 62.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 57' ' ' LEU . 69.0 t -92.3 -32.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.543 HG23 ' CG2' ' A' ' 43' ' ' ILE . 57.7 mt -67.79 -40.22 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HD3' HD11 ' A' ' 57' ' ' LEU . 2.0 mpt_? -41.88 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 57' ' ' LEU . 64.6 mt -39.8 -65.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.504 ' NH1' ' CG2' ' A' ' 33' ' ' ILE . 7.4 mtt85 -46.08 -52.77 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.74 -29.67 64.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -18.04 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.17 6.51 63.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -76.48 156.9 83.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.47 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.543 ' CG2' HG23 ' A' ' 33' ' ' ILE . 35.7 pt -51.35 -40.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 43' ' ' ILE . 1.6 tpt85 -138.01 115.21 10.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mt -74.57 -170.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.78 70.48 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.16 53.32 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.42 166.25 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.248 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 52' ' ' ASP . 9.0 t -130.17 -178.73 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -47.33 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -62.57 -62.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -47.39 -56.98 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.76 59.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 27.3 t80 -59.77 -65.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -42.24 -46.81 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -46.99 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.577 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.78 -24.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.3 tttt -92.34 -35.56 13.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -61.38 -45.49 98.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.38 -37.25 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.34 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.34 111.14 23.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -66.97 167.63 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -64.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -45.71 49.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -58.79 -24.28 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.827 HG21 ' HA ' ' A' ' 54' ' ' PHE . 31.9 t -94.84 -33.18 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.577 HG23 HG21 ' A' ' 43' ' ' ILE . 11.5 mt -68.76 -36.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -54.89 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.665 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.5 mtt85 -50.54 -62.35 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD12 HG12 ' A' ' 32' ' ' VAL . 92.3 mt -39.54 -65.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -44.71 -54.14 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -37.88 64.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -17.28 59.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.37 10.33 65.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.14 157.11 68.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -75.0 119.43 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.577 HG21 HG23 ' A' ' 33' ' ' ILE . 21.0 pt -54.3 -35.52 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' N ' HG13 ' A' ' 43' ' ' ILE . 2.9 tpt180 -135.45 106.31 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.8 mp -71.44 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -168.84 102.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.73 -28.97 6.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -42.66 104.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.1 t -76.28 169.21 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -39.31 -38.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -65.36 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -45.18 -53.35 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.27 64.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.827 ' HA ' HG21 ' A' ' 32' ' ' VAL . 6.4 t80 -59.62 -42.19 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -59.07 -58.03 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -39.17 -63.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.665 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -54.95 -49.95 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.16 -35.46 13.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.473 HD12 ' CD2' ' A' ' 36' ' ' LEU . 42.0 mt -61.09 -46.23 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 13.6 mm-40 -53.52 -44.56 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.8 mt -58.17 -57.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' HD23 ' A' ' 27' ' ' LEU . 46.2 p . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 26' ' ' THR . 2.5 mt -134.83 135.61 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -84.92 166.54 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.532 ' HG2' HD11 ' A' ' 33' ' ' ILE . 14.1 ttm180 -39.04 -61.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.7 -46.86 70.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.26 -24.78 57.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG13 ' HB3' ' A' ' 57' ' ' LEU . 58.0 t -94.03 -32.86 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 29' ' ' ARG . 56.5 mt -69.76 -38.03 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.858 ' HD3' HD11 ' A' ' 57' ' ' LEU . 16.4 mtt85 -45.13 -65.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD2' HD12 ' A' ' 60' ' ' ILE . 95.4 mt -39.88 -54.91 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -54.52 -59.95 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -43.35 63.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -36.01 79.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.65 44.26 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -115.31 163.0 21.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.543 1.812 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.511 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.2 pt -58.6 -31.23 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.73 94.94 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.52 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -156.27 81.04 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.32 18.37 53.14 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.27 121.2 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.3 p -70.12 -168.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -73.69 -24.79 59.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -31.98 15.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.94 -43.86 74.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -27.91 61.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 15.0 t80 -71.09 -67.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -41.16 -31.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -65.88 -59.6 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.858 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.57 -51.0 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.81 -25.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -92.18 -35.63 13.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.593 HD12 ' CD2' ' A' ' 36' ' ' LEU . 16.1 mt -61.79 -46.43 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -50.11 -31.8 14.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.73 -57.51 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.87 166.26 25.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -148.52 -58.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.48 148.87 14.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 m -146.39 83.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -156.57 -59.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.71 147.11 11.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -145.73 -60.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.9 80.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 t -168.72 162.18 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -43.68 130.51 3.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -39.97 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 p 41.5 42.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -160.69 125.73 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' CG ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER 74.41 158.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -145.65 105.47 4.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 63.22 127.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD12 ' CG ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -178.89 -161.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.91 46.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.05 97.06 3.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 2.8 pt-20 -111.8 7.38 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -57.01 -165.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 57.25 163.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.836 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -74.99 -167.19 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -47.63 103.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 24' ' ' PRO . 3.2 p -92.95 -35.11 13.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -107.7 118.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -73.42 167.62 20.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -39.73 -55.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 13.9 tt0 -57.93 -45.68 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.95 -24.54 67.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG21 ' HA ' ' A' ' 54' ' ' PHE . 3.3 t -91.71 -31.55 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.776 HG23 ' CG2' ' A' ' 43' ' ' ILE . 41.3 mt -70.07 -44.77 77.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.11 -62.75 1.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' HD3' HD11 ' A' ' 57' ' ' LEU . 11.1 mtt85 -58.26 -62.62 1.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD12 HG12 ' A' ' 32' ' ' VAL . 90.4 mt -40.49 -46.84 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HD2' ' CG2' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.49 -62.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.99 -17.34 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.07 -14.89 28.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.33 9.89 81.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' OE2' HD13 ' A' ' 60' ' ' ILE . 5.8 mm-40 -79.84 156.63 74.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.776 ' CG2' HG23 ' A' ' 33' ' ' ILE . 13.3 pt -58.38 -23.27 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 4.5 tpt180 -153.1 112.5 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD12 ' OE1' ' A' ' 48' ' ' GLU . 1.9 mt -74.4 -171.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -86.93 67.62 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.67 51.46 0.34 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.627 ' OE1' HD12 ' A' ' 45' ' ' LEU . 4.8 mt-10 -121.59 164.23 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -130.12 177.03 7.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.27 -46.66 55.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -61.82 -62.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.2 -55.02 7.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -48.17 81.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.763 ' HA ' HG21 ' A' ' 32' ' ' VAL . 10.2 t80 -56.63 -60.83 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -50.93 -48.12 60.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -47.99 -59.62 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.735 HD12 HG22 ' A' ' 32' ' ' VAL . 1.6 tm? -62.59 -50.6 70.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.66 -25.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' LEU . 15.2 tttt -92.13 -35.88 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' LEU . 37.0 mt -60.99 -45.63 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 14.9 mm-40 -53.99 -27.32 30.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.8 mt -76.58 -58.48 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -53.83 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 m -116.75 92.55 38.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.443 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -163.71 80.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t 40.85 87.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -162.22 89.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.08 141.88 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.09 144.4 4.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.96 116.85 31.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.21 156.91 5.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 171.27 18.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.9 p -91.51 82.99 5.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t 65.97 151.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.09 157.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p 178.46 166.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.2 176.31 45.94 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.27 146.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.64 158.4 11.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.89 -171.17 34.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 p -110.91 116.28 30.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 167.91 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 67.1 -177.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 59.98 101.5 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 56.78 4.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 p -111.29 159.95 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt 64.11 94.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -130.33 168.94 16.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -148.4 106.96 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.84 167.9 21.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.11 164.08 33.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.97 -159.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 63.99 170.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 40.33 30.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -48.47 171.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.94 157.63 35.52 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.43 1.753 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.402 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 3.3 mtt -59.55 120.5 9.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 p -110.28 -33.46 6.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.32 136.22 47.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -76.03 160.98 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.06 -57.62 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -48.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.57 -23.58 41.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 54' ' ' PHE . 71.9 t -94.71 -30.44 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.741 HG23 HG21 ' A' ' 43' ' ' ILE . 89.1 mt -73.45 -37.74 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -53.68 -70.01 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.918 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.6 mtt85 -48.86 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 57' ' ' LEU . 92.5 mt -39.26 -52.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -59.24 -59.33 5.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.21 -30.97 29.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -20.3 34.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.58 7.85 62.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' LEU . 3.8 mm-40 -78.35 156.71 78.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.741 HG21 HG23 ' A' ' 33' ' ' ILE . 6.3 pt -62.61 -16.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.42 105.23 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -78.97 -177.85 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -53.21 92.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.98 58.53 13.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -102.62 168.71 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -130.1 159.91 35.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 54' ' ' PHE . 6.7 m-20 -40.34 -45.75 2.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -53.78 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.55 -29.82 70.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' HA ' HG11 ' A' ' 32' ' ' VAL . 10.8 t80 -75.36 -55.94 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -53.91 -46.46 71.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -50.27 -58.42 5.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.918 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.51 -50.82 71.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -24.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 62' ' ' ILE . 17.7 tttt -92.19 -35.71 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' LEU . 17.0 mt -61.45 -45.85 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -51.89 -38.49 56.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 59' ' ' LYS . 67.8 mt -59.98 -54.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -46.09 -66.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.366 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.683 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.9 m -51.28 145.47 13.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.683 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.3 Cg_endo -74.98 -162.62 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 62.05 115.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.9 t 53.31 100.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -131.85 83.8 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.05 129.19 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 176.2 86.37 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.11 148.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.23 158.02 14.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.33 35.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.3 t -122.97 113.33 18.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.7 t -103.57 96.21 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -139.42 -58.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m 64.78 168.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.0 -143.88 8.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.91 133.32 8.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.92 103.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.71 -177.38 5.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -157.27 79.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t 59.31 171.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.9 p 174.11 -61.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -175.09 109.48 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 12' ' ' PRO . 8.7 p 42.55 38.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.611 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -133.49 104.9 6.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -121.67 162.63 20.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -127.48 -140.25 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' H ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt-10 63.45 148.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.808 HD12 ' N ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER 62.18 154.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.808 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -149.28 -172.14 4.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 79.2 171.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 39.22 32.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -55.79 159.46 3.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 156.89 89.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' O ' HG23 ' A' ' 26' ' ' THR . 18.4 Cg_endo -74.94 170.48 20.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -41.67 143.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 24' ' ' PRO . 22.1 p -136.41 -47.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.3 mt -97.9 136.92 37.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 m -82.05 164.94 21.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.488 HH11 ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -40.41 -55.87 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.488 ' NE2' HH11 ' A' ' 29' ' ' ARG . 1.0 OUTLIER -59.1 -43.64 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 12.4 tp10 -60.41 -24.76 65.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 54' ' ' PHE . 40.9 t -94.42 -32.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.416 HG23 ' CG2' ' A' ' 43' ' ' ILE . 68.4 mt -67.78 -38.73 80.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB3' HD21 ' A' ' 57' ' ' LEU . 1.3 mpt_? -51.57 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD1' HG12 ' A' ' 32' ' ' VAL . 69.4 mt -40.6 -61.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -47.79 -53.93 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.98 -26.11 64.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.53 ' CZ ' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER -88.74 -12.21 42.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.2 8.41 83.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -77.28 156.53 81.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.445 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 117.94 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.9 pt -57.45 -29.13 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 105.23 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.253 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD13 ' NE ' ' A' ' 56' ' ' ARG . 4.4 mp -72.18 -78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -154.5 90.82 1.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.45 29.54 74.22 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.3 113.05 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -74.67 162.05 29.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 23.1 m-20 -40.96 -46.94 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -55.51 32.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -54.59 41.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' HG11 ' A' ' 32' ' ' VAL . . . -57.75 -38.62 75.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.793 ' HA ' HG21 ' A' ' 32' ' ' VAL . 6.0 t80 -66.22 -62.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -50.41 -36.03 31.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' NE ' HD13 ' A' ' 45' ' ' LEU . 40.2 ttp85 -58.7 -62.2 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.667 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -58.26 -49.89 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 62' ' ' ILE . 12.6 ttpt -92.31 -35.41 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 36' ' ' LEU . 33.4 mt -61.33 -45.69 98.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 55.5 mm-40 -51.09 -30.15 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.611 ' HA ' HD21 ' A' ' 14' ' ' LEU . 24.0 mt -79.26 -51.34 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -53.45 -68.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.733 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.5 m -38.45 146.58 0.29 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.4 Cg_endo -75.01 -63.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.492 1.786 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' C ' HG12 ' A' ' 67' ' ' VAL . 2.9 mt-10 66.92 79.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.42 HG12 ' C ' ' A' ' 66' ' ' GLU . 11.8 p 42.4 51.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -91.46 149.44 21.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.47 84.34 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.4 -141.37 3.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t -108.88 87.77 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.744 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.18 -146.58 4.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' CG ' ' HG3' ' A' ' 65' ' ' PRO . 18.3 Cg_endo -75.02 -33.99 4.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t 51.68 96.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.96 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.19 77.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.71 158.68 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.58 162.87 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.55 176.63 33.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 p -176.19 153.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -114.34 117.09 30.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.74 168.89 36.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 8' ' ' THR . 10.0 t -139.12 62.12 1.54 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 0.774 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -129.5 168.55 16.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.47 -61.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 m120 59.48 94.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.75 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 -44.78 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.806 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.72 178.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.706 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -160.38 123.18 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 163.4 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.03 -140.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 46.89 82.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.0 mm? -99.58 167.58 10.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . 177.72 91.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.67 56.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.75 36.69 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 170.25 8.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.48 155.68 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -166.22 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 55.8 mtp -67.59 77.52 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.0 p -40.72 -33.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.33 140.42 48.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' ARG . 90.9 p -87.99 164.22 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -36.95 -63.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.97 -52.25 35.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -54.65 -23.87 19.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 54' ' ' PHE . 77.4 t -94.67 -26.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.764 HG23 HG21 ' A' ' 43' ' ' ILE . 31.5 mt -77.16 -38.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.89 -72.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.807 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.9 mtt85 -45.62 -65.27 0.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 57' ' ' LEU . 65.8 mt -39.63 -44.39 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -69.21 -53.11 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -14.01 20.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -98.9 -16.26 18.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.87 -0.41 76.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -76.73 157.3 82.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.0 123.83 8.17 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.764 HG21 HG23 ' A' ' 33' ' ' ILE . 6.7 pt -65.71 -17.37 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt85 -145.23 103.58 3.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -79.87 -171.39 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.01 93.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.62 57.64 15.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.1 mt-10 -107.28 121.12 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 t -80.45 160.28 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.43 -52.76 2.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -50.22 72.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -57.11 12.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -44.19 79.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 6.3 t80 -57.29 -55.93 28.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -52.93 -57.97 8.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -39.06 -59.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.807 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -60.96 -51.07 70.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.521 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.21 -24.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' LEU . 39.0 tptt -92.43 -34.92 13.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -62.1 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.39 -57.01 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.363 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mt -40.47 -62.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.739 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -48.85 146.63 5.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.4 Cg_endo -75.0 -163.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 50.69 83.12 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.6 p -174.29 135.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -134.68 148.03 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -163.53 165.53 23.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.83 142.39 45.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -72.53 162.03 30.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.76 91.23 0.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 151.22 39.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.41 115.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.8 t -71.97 92.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -173.78 148.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m 60.51 162.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.76 106.82 0.26 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -168.21 173.75 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.51 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 61.9 p -57.63 -63.01 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' HD21 ' A' ' 18' ' ' LEU . . . 91.93 80.52 1.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.3 p -108.52 -179.14 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.392 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t 41.69 61.24 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -159.21 -157.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -150.58 99.92 3.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.99 -35.96 2.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.717 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER 39.01 30.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 12' ' ' PRO . 5.1 tp -166.01 128.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -39.07 115.98 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.41 122.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -40.6 154.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -155.23 -153.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 6' ' ' SER . . . -119.61 49.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.15 95.17 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.229 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' O ' ' NH2' ' A' ' 58' ' ' ARG . 2.6 pt-20 -114.78 24.37 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -164.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.514 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 59.49 154.32 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 26' ' ' THR . 18.2 Cg_endo -74.97 -167.53 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.811 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.47 100.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 24' ' ' PRO . 21.9 p -89.0 -38.76 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mt -107.83 118.32 36.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' ARG . 53.7 m -69.68 164.78 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.94 -64.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.65 -53.72 17.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -51.31 -24.74 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 54' ' ' PHE . 39.4 t -92.8 -35.33 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 mt -67.03 -38.7 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -52.74 -72.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.71 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.0 mtt85 -47.25 -63.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CD2' HD12 ' A' ' 60' ' ' ILE . 80.3 mt -39.79 -57.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -54.6 -45.31 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -75.1 -1.77 24.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -107.2 -30.54 8.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.55 35.4 4.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.82 165.49 13.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.77 5.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.8 pt -56.72 -22.19 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -153.96 118.76 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -82.61 -177.79 6.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.61 100.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.82 52.97 44.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.8 OUTLIER -107.19 127.49 53.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' ASP . 3.3 t -81.13 156.26 25.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 1.0 OUTLIER -40.44 -55.6 2.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -54.52 -41.47 69.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -59.52 -57.13 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -36.34 76.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 32' ' ' VAL . 2.8 t80 -61.54 -63.0 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -47.2 -50.89 19.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.3 ttm-85 -43.1 -63.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.329 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.71 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -56.72 -50.54 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.87 -25.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.699 ' HA ' HD12 ' A' ' 62' ' ' ILE . 16.3 tttt -92.22 -35.71 13.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 36' ' ' LEU . 17.7 mt -61.11 -45.47 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.0 mm-40 -52.85 -20.38 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 59' ' ' LYS . 24.9 mt -86.5 -59.86 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -52.94 -44.16 66.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.725 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.5 m -43.98 146.46 1.07 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.2 Cg_endo -75.02 -60.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 61.71 68.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 67' ' ' VAL . 62.9 t 42.77 74.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -41.69 124.48 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 166.19 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -138.32 125.4 3.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 t -142.52 168.84 18.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -121.49 97.31 0.61 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.8 34.26 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.2 t -112.09 96.53 6.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.062 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.3 p -174.57 134.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -162.9 -58.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.986 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.23 157.56 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.37 144.61 13.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -179.24 143.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 p -165.32 154.78 12.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.43 -165.19 38.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m 61.75 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 110.441 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -145.66 118.25 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.2 159.05 44.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -95.74 164.33 19.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -82.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 13' ' ' VAL . 17.8 t 42.78 86.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD21 ' O ' ' A' ' 72' ' ' GLY . 0.2 OUTLIER -134.03 -153.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' H ' HD23 ' A' ' 14' ' ' LEU . 4.4 tt0 -151.41 108.96 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -145.0 103.88 3.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -109.85 94.23 4.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 56.9 170.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.15 64.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.52 154.27 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 62.01 26.82 16.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mp -48.02 155.15 0.9 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.662 ' O ' HG23 ' A' ' 26' ' ' THR . 18.3 Cg_endo -75.01 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 6.0 ttt -51.19 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 24' ' ' PRO . 64.4 p -132.38 43.92 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 26' ' ' THR . 67.8 mt -151.86 111.1 3.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.8 m -72.93 163.03 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.776 ' C ' HD12 ' A' ' 33' ' ' ILE . 20.4 mtt85 -39.02 -57.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -37.98 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' SER . 4.4 tp10 -65.68 -29.65 70.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.2 t -89.86 -26.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.776 HD12 ' C ' ' A' ' 29' ' ' ARG . 4.1 mt -77.12 -44.31 31.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -47.62 -69.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.964 ' HD3' HD11 ' A' ' 57' ' ' LEU . 30.0 mtt85 -45.64 -67.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 57' ' ' LEU . 58.6 mt -38.7 -48.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -54.63 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -60.07 -14.94 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.37 -18.24 19.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.55 3.61 71.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -77.22 157.08 81.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.05 117.65 4.97 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 33' ' ' ILE . 20.9 pt -55.17 -34.73 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tpt180 -135.11 108.83 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 3.1 mp -77.29 -172.48 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -87.1 78.92 8.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.81 56.69 0.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 16.8 mt-10 -126.24 163.27 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 50' ' ' ASP . 10.1 t -130.23 -168.05 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.447 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.6 OUTLIER -61.57 -46.99 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.18 -62.65 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.441 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.8 OUTLIER -40.22 -60.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.45 -55.66 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 20.9 t80 -54.64 -65.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -42.54 -52.45 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NE ' HD13 ' A' ' 45' ' ' LEU . 20.6 ttp85 -46.29 -63.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.964 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -57.21 -50.94 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -46.11 -25.51 0.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.594 ' HA ' HD12 ' A' ' 62' ' ' ILE . 20.6 tttt -91.43 -35.13 14.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -61.6 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -53.95 -41.85 68.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 59' ' ' LYS . 57.6 mt -58.39 -59.3 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -40.15 -63.73 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 23.1 m -58.24 143.79 78.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 18.3 Cg_endo -74.99 -36.58 2.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 64.05 129.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 m -59.54 -25.0 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -75.6 148.19 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -133.05 123.12 25.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -41.23 159.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.77 160.05 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.541 ' O ' HD21 ' A' ' 14' ' ' LEU . . . 143.6 95.5 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.8 16.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.2 p -175.14 157.07 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 m -131.14 154.01 48.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 110.961 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -179.9 125.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.759 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p -133.95 163.81 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.28 153.49 24.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -174.85 113.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -108.4 162.01 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.16 98.24 0.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 m -129.21 105.57 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 110.41 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.13 101.96 1.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.13 89.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -178.79 100.62 0.21 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' O ' HD23 ' A' ' 14' ' ' LEU . 18.5 Cg_endo -75.01 -41.42 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.551 1.816 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.2 p 40.22 57.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 12' ' ' PRO . 2.2 pp -150.27 118.03 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 58.55 170.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.5 mt -141.89 102.04 4.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -165.78 94.52 0.59 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.93 158.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.7 -164.52 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.16 56.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -38.94 -34.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 149.2 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD23 ' CD ' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -149.0 164.3 21.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' CD ' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.04 -175.22 2.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.557 ' HG2' ' CD2' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -67.07 104.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 p -78.47 -53.79 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mt -95.57 133.86 39.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.0 m -78.29 164.33 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.96 -59.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -55.8 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -50.49 -23.51 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.581 HG13 ' CB ' ' A' ' 57' ' ' LEU . 31.5 t -94.62 -33.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.738 HG23 ' CG2' ' A' ' 43' ' ' ILE . 80.9 mt -69.0 -37.81 77.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -53.76 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.511 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.0 mtt85 -52.06 -61.41 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 36' ' ' LEU . 25.5 mt -39.44 -56.15 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -59.87 3.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.96 -31.17 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -30.32 63.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.64 -2.41 49.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.57 160.0 78.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.738 ' CG2' HG23 ' A' ' 33' ' ' ILE . 28.1 pt -40.86 -43.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -147.53 127.88 13.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.42 169.26 17.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.79 100.47 5.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.08 -18.82 23.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 3.5 mt-10 -67.94 156.95 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -119.49 161.89 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -40.12 -43.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -63.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -46.86 -56.99 5.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.44 -49.5 67.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.0 t80 -56.74 -62.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -49.25 -49.12 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -43.24 -59.73 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.581 ' CB ' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -61.21 -51.21 69.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.88 -25.02 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.67 ' HA ' HD12 ' A' ' 62' ' ' ILE . 36.4 tptt -92.27 -35.54 13.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LEU . 31.5 mt -61.4 -45.59 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 12.3 mm-40 -55.07 -41.39 71.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 59' ' ' LYS . 36.9 mt -60.98 -55.01 27.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt -44.73 -64.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.595 HG23 ' HD2' ' A' ' 65' ' ' PRO . 22.5 m -42.55 144.5 0.97 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.2 Cg_endo -75.05 -162.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.08 135.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t 41.11 73.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 177.55 149.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -98.18 62.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.19 -96.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 p 58.34 165.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.29 -150.61 26.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.21 10.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 t -129.34 -58.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.4 t -88.43 152.59 21.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 p -173.49 163.54 4.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 0.783 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.0 p 179.35 169.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.94 -149.44 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p 178.74 140.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.968 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p -169.52 169.63 8.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.71 145.78 4.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 8' ' ' THR . 12.6 t -171.34 113.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.743 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.74 140.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.936 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 t -174.42 113.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -163.63 85.8 1.28 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 63.86 6.0 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.754 ' C ' HD12 ' A' ' 14' ' ' LEU . 9.9 p -173.82 137.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.754 HD12 ' C ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -137.45 -146.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.39 82.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.84 101.26 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.366 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -175.52 157.61 2.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -84.23 143.59 29.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.7 105.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -130.26 27.61 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.37 -32.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' GLU . 7.5 pttt 46.7 -171.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.5 OUTLIER -148.89 160.26 35.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.1 Cg_endo -75.08 170.41 20.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -38.59 138.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p -131.31 -48.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.45 144.92 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' ARG . 40.8 m -92.67 167.15 12.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.0 -67.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -48.69 -54.29 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -51.35 -25.2 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.604 HG13 ' HB3' ' A' ' 57' ' ' LEU . 56.0 t -92.59 -35.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 43' ' ' ILE . 67.6 mt -66.75 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -72.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.814 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.6 mtt85 -46.66 -63.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.531 ' CD2' HD12 ' A' ' 60' ' ' ILE . 92.3 mt -39.25 -65.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -44.52 -53.59 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.58 -31.0 65.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -88.61 -1.51 58.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.95 12.22 83.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' HD13 ' A' ' 60' ' ' ILE . 40.2 mm-40 -78.39 156.82 78.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.309 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.79 5.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' CG2' HG23 ' A' ' 33' ' ' ILE . 6.0 pt -53.42 -24.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -142.28 129.72 21.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD12 ' NE ' ' A' ' 56' ' ' ARG . 1.8 mt -91.41 -168.43 2.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -72.51 87.34 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 56.32 10.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.7 mt-10 -109.19 133.01 53.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ASP . 14.3 t -85.65 158.66 20.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.367 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.87 -43.36 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -63.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.39 -44.12 62.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -47.18 86.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 4.9 t80 -59.15 -42.65 91.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.5 -56.25 24.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.712 ' NE ' HD12 ' A' ' 45' ' ' LEU . 6.2 ttm-85 -38.76 -61.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.814 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -58.67 -52.29 66.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.68 -25.05 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.702 ' HA ' HD12 ' A' ' 62' ' ' ILE . 14.0 tttt -92.29 -35.91 13.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.531 HD12 ' CD2' ' A' ' 36' ' ' LEU . 24.8 mt -61.56 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 9.9 mm-40 -52.0 -40.07 60.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 59' ' ' LYS . 37.0 mt -60.52 -59.59 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 mt -40.89 -66.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.759 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -38.32 146.58 0.29 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.759 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.3 Cg_endo -74.97 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -38.99 119.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.3 m -72.8 83.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -62.61 146.49 51.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.39 176.41 9.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.79 100.89 1.99 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -150.99 158.0 43.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.33 95.94 0.49 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 71.03 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.2 p -124.13 147.02 48.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.01 -58.07 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 t -175.15 132.85 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -178.15 166.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.29 116.01 1.01 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -174.11 118.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.953 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -176.01 168.49 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.02 83.95 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.11 108.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -171.54 105.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.2 p -177.16 124.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -163.61 93.8 1.08 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -89.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 111.034 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.6 t 42.89 90.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -175.21 66.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -169.02 159.16 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.85 125.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -132.25 134.72 45.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -150.73 155.93 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.44 -169.6 3.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 75.62 173.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 38.99 34.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.97 164.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -57.5 159.06 9.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.576 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -74.99 -174.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.547 ' HG2' ' CD2' ' A' ' 54' ' ' PHE . 1.4 mtm -61.31 142.89 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.7 p -126.23 -42.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.15 132.57 47.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.19 166.32 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.77 -55.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 29' ' ' ARG . 1.1 tt0 -61.9 -50.03 73.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.56 -29.39 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 54' ' ' PHE . 46.3 t -88.08 -35.35 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG23 HG22 ' A' ' 43' ' ' ILE . 38.8 mt -65.18 -42.69 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -69.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.691 ' HD3' HD11 ' A' ' 57' ' ' LEU . 5.2 mtt-85 -50.15 -62.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 32' ' ' VAL . 81.8 mt -39.72 -54.76 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -51.16 -44.05 61.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ARG . 38.0 mt-10 -73.22 -19.0 61.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.49 5.17 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 9.91 52.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.78 156.65 74.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.68 6.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.99 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG22 HG23 ' A' ' 33' ' ' ILE . 12.1 pt -53.11 -26.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -139.42 136.23 34.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.527 HD12 ' CD ' ' A' ' 56' ' ' ARG . 4.9 mt -103.4 -172.06 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -74.28 97.58 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.29 57.6 7.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 2.7 mt-10 -117.31 152.61 34.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 51' ' ' TYR . 10.3 t -116.57 -158.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.432 ' N ' ' OG1' ' A' ' 49' ' ' THR . 0.4 OUTLIER -69.92 -44.88 68.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' H ' HG23 ' A' ' 49' ' ' THR . 0.1 OUTLIER -65.01 -58.39 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -49.8 -57.23 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.29 -47.85 68.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.714 ' HA ' HG21 ' A' ' 32' ' ' VAL . 2.4 t80 -58.1 -63.51 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -46.86 -42.06 16.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.527 ' CD ' HD12 ' A' ' 45' ' ' LEU . 4.6 ttm-85 -50.91 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.691 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -58.31 -52.57 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.67 -25.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 12.5 tttt -92.46 -35.84 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' LEU . 16.2 mt -62.11 -39.54 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 57' ' ' LEU . 52.0 mm-40 -60.91 -30.2 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.62 -54.04 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.7 mt -51.83 -86.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.49 148.17 0.25 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.472 1.775 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 53.97 87.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 p -169.84 138.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -149.43 142.19 24.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.04 164.23 9.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.33 -164.72 28.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.2 p -149.74 149.12 30.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 0.779 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.69 97.23 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.53 25.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.37 123.95 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.6 m -44.33 120.97 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -179.92 170.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.33 167.8 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.06 177.27 41.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 p -170.48 168.87 7.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.749 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -177.89 166.36 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.23 139.55 3.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -156.01 136.9 13.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.413 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.71 131.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 p 177.16 126.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -173.01 100.02 0.34 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -88.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.0 t 40.64 89.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 pp -165.83 100.46 0.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -176.12 90.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.69 101.62 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -146.78 104.64 3.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -175.33 158.79 2.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.53 56.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -170.08 52.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.4 39.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 140.74 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 26' ' ' THR . 0.7 OUTLIER -137.17 160.5 65.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 75.05 3.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.442 ' CE ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER 47.33 95.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 9.6 p -98.81 -31.22 11.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 1.7 mt -107.52 132.15 53.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -77.16 165.08 25.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 1.5 ppt_? -39.68 -57.17 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 48.2 tt0 -55.69 -50.89 69.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.22 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 6.4 tp10 -54.0 -23.68 14.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' A' ' 54' ' ' PHE . 42.7 t -94.7 -31.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.73 HG23 HG21 ' A' ' 43' ' ' ILE . 35.4 mt -71.44 -37.52 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -55.2 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.864 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.5 mtt85 -42.63 -65.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 57' ' ' LEU . 94.0 mt -39.06 -58.01 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -51.47 -54.92 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.68 -12.78 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -94.82 -26.45 16.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.65 32.33 7.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.39 163.05 18.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.73 HG21 HG23 ' A' ' 33' ' ' ILE . 1.1 pt -55.62 -22.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' CZ ' ' O ' ' A' ' 48' ' ' GLU . 1.2 tpt180 -154.57 116.87 4.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.74 -172.35 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -87.07 77.2 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.21 45.24 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 3.9 mt-10 -118.28 156.62 28.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 t -121.83 162.98 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 16.5 m-20 -40.51 -36.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.537 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -68.43 -64.38 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.86 -49.73 48.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -41.68 78.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 5.3 t80 -68.88 -45.88 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.537 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 6.2 mt-30 -54.4 -59.14 5.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 7.7 ttm-85 -38.79 -59.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.864 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 tm? -59.36 -52.28 66.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.63 -25.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' HD12 ' A' ' 62' ' ' ILE . 15.1 tttt -92.34 -35.84 13.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 mt -61.7 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 11.5 mm-40 -51.8 -38.05 54.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 59' ' ' LYS . 59.1 mt -63.98 -56.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.689 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -58.23 -43.9 87.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.537 HG23 ' HD2' ' A' ' 65' ' ' PRO . 23.6 m -59.07 143.32 84.47 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.3 Cg_endo -75.0 -163.38 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' PRO . 1.2 mt-10 39.0 80.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 65' ' ' PRO . 37.5 t -138.23 104.65 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -45.1 131.87 7.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -45.71 144.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.97 -128.58 0.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -124.74 -63.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 162.1 157.25 8.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.3 6.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.4 m 59.09 154.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.5 p -179.05 85.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 178.83 159.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.964 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -170.91 167.43 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.33 142.57 3.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -175.84 166.82 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.35 147.79 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.31 156.78 10.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.6 p -116.63 57.48 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.427 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.1 p -173.64 133.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -171.21 89.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -163.51 99.78 0.98 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' C ' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -41.69 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG12 ' C ' ' A' ' 12' ' ' PRO . 14.8 p 43.17 45.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.74 70.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.69 90.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.54 122.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -172.14 138.56 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.32 174.27 15.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.88 68.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -173.86 60.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -99.77 34.68 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -86.2 138.64 31.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.2 164.16 22.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 26' ' ' THR . 18.3 Cg_endo -75.03 179.02 6.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.34 95.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 24' ' ' PRO . 65.7 p -77.19 -40.65 44.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.3 139.53 39.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' ARG . 88.2 p -87.6 160.52 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -37.01 -62.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' ILE . 3.0 tm0? -48.39 -60.5 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -46.47 -27.68 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.808 HG21 ' HA ' ' A' ' 54' ' ' PHE . 44.1 t -89.34 -34.1 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.944 HG23 ' CG2' ' A' ' 43' ' ' ILE . 62.5 mt -70.97 -38.45 72.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -54.83 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.702 ' HD3' HD11 ' A' ' 57' ' ' LEU . 26.0 mtt180 -47.84 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' CD2' HD12 ' A' ' 60' ' ' ILE . 85.2 mt -39.67 -57.15 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -47.37 -59.36 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -33.83 64.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' NH1' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -77.32 -11.5 59.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.22 3.75 88.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.58 156.72 82.95 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.78 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.944 ' CG2' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -51.61 -39.56 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.592 HH12 ' N ' ' A' ' 50' ' ' ASP . 4.5 tpt180 -135.17 129.79 34.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CD ' ' A' ' 56' ' ' ARG . 6.6 mt -98.71 169.18 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.71 104.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.62 -25.09 14.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' ' CZ ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -45.81 112.34 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 0.768 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 52' ' ' ASP . 4.4 t -75.81 160.5 29.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.592 ' N ' HH12 ' A' ' 44' ' ' ARG . 41.6 t0 -42.12 -56.0 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.32 -36.45 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' N ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -58.15 -59.13 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.39 -49.85 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.808 ' HA ' HG21 ' A' ' 32' ' ' VAL . 3.9 t80 -55.28 -62.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -53.0 -45.17 67.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CD ' HD12 ' A' ' 45' ' ' LEU . 2.5 ttm-85 -49.55 -58.55 5.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.702 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.7 tm? -62.48 -50.97 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.74 -25.03 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 62' ' ' ILE . 19.6 tttt -92.07 -35.7 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 63' ' ' LEU . 22.9 mt -61.19 -46.02 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 62.9 mm-40 -53.96 -40.12 66.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 59' ' ' LYS . 71.9 mt -58.73 -61.07 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 60' ' ' ILE . 2.1 mt -42.4 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 64' ' ' THR . 13.6 t -38.1 98.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 63' ' ' LEU . 18.5 Cg_endo -74.96 -32.71 5.21 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.32 93.5 3.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.3 t -137.68 -69.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -172.14 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.96 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.52 93.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.8 p -159.94 109.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 109.979 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -43.23 102.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 61.14 5.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.771 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.0 t -87.1 167.4 14.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 m 61.12 149.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -176.28 150.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.61 164.71 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.52 -173.12 44.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.36 -58.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.49 117.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.64 -105.59 0.34 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.7 p -119.52 91.24 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 0.807 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.69 85.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.6 OUTLIER -176.38 -73.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' SER . 10.5 p-10 -40.52 101.02 0.23 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.81 5.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 p -95.35 142.66 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.239 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 14' ' ' LEU . 1.5 tm? -139.45 69.56 1.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -134.25 148.28 50.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.35 -140.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 55.27 98.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -161.05 134.71 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' GLU . . . -175.32 -175.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER 85.79 79.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.157 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -46.88 -24.79 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -157.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.909 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 62.01 151.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.909 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.5 Cg_endo -75.0 -165.5 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.58 112.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 24' ' ' PRO . 21.3 p -101.31 -39.95 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mt -102.49 127.09 49.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.51 164.2 26.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -41.14 -55.42 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' N ' ' HD2' ' A' ' 29' ' ' ARG . 1.1 tt0 -57.17 -44.94 84.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.07 -25.56 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG13 ' HB3' ' A' ' 57' ' ' LEU . 57.7 t -93.64 -33.67 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.601 HG23 ' CG2' ' A' ' 43' ' ' ILE . 73.5 mt -66.9 -38.38 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HB3' HD21 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.34 -61.56 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 57' ' ' LEU . 72.0 mt -40.49 -52.56 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -56.83 -57.11 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -15.32 17.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -95.38 -13.45 24.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.18 4.52 86.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE2' HD13 ' A' ' 60' ' ' ILE . 2.9 mm-40 -79.87 157.05 74.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -74.99 117.97 5.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.601 ' CG2' HG23 ' A' ' 33' ' ' ILE . 31.0 pt -50.3 -36.34 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -138.16 117.18 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 5.0 mp -83.87 -172.05 3.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -78.47 82.08 4.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.74 55.64 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' OE2' HD13 ' A' ' 45' ' ' LEU . 4.6 mt-10 -120.34 111.78 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -73.93 158.15 34.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -40.48 -52.49 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -39.72 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -60.51 -56.37 22.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -41.35 78.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 3.6 t80 -59.67 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -53.29 -32.86 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' NE ' HD13 ' A' ' 45' ' ' LEU . 35.8 ttp85 -61.1 -60.86 3.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.6 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -59.02 -51.43 70.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.27 -25.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 62' ' ' ILE . 18.0 tttt -92.56 -36.3 13.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' LEU . 75.6 mt -60.75 -43.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG3' ' NH1' ' A' ' 35' ' ' ARG . 56.1 mm-40 -52.58 -24.82 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 59' ' ' LYS . 15.0 mt -87.67 -61.21 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.3 mt -41.18 -47.1 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -39.42 146.46 0.36 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.417 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 64' ' ' THR . 18.1 Cg_endo -75.01 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 73.74 56.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.7 t 62.92 137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.415 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 4.2 p-10 -175.73 130.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.52 93.94 5.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -166.4 78.73 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 p -64.78 87.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 0.724 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.33 89.3 0.56 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.88 17.45 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.9 t -117.42 -50.55 2.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.19 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 61.51 118.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 p -172.77 126.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.24 150.82 7.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -178.34 154.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.87 161.14 2.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.85 130.89 1.25 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m -133.49 151.31 51.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 t -110.65 149.02 31.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.65 132.88 52.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -155.71 155.94 30.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.747 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.747 HG12 ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.77 178.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.872 HD22 ' C ' ' A' ' 76' ' ' GLY . 4.8 mt 64.31 127.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -69.28 172.29 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.59 101.23 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.8 169.97 8.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.01 179.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -172.74 147.77 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -158.63 55.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.25 36.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.46 162.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.36 162.65 31.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.39 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.448 1.762 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 113.55 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -98.01 -42.72 7.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.56 124.54 50.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -81.53 165.66 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -37.17 -67.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.261 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -52.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.88 -25.44 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.865 HG21 ' HA ' ' A' ' 54' ' ' PHE . 24.9 t -92.67 -31.32 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.717 HG23 HG22 ' A' ' 43' ' ' ILE . 17.8 mt -70.55 -40.2 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -52.07 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' NH1' ' CD ' ' A' ' 61' ' ' GLU . 1.6 mtt-85 -55.4 -61.55 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.713 HD12 HG12 ' A' ' 32' ' ' VAL . 65.9 mt -39.04 -59.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -44.69 -58.14 3.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.71 -37.87 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -1.9 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.51 7.08 72.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.03 156.7 82.06 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HG2' HD11 ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.99 117.78 5.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.717 HG22 HG23 ' A' ' 33' ' ' ILE . 25.6 pt -45.95 -43.32 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -140.71 124.58 17.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD13 ' NE ' ' A' ' 56' ' ' ARG . 5.0 mp -83.56 -172.83 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -90.4 78.24 6.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.99 52.0 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 52' ' ' ASP . 7.6 mt-10 -139.64 163.21 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.17 -168.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.73 -47.13 83.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -69.93 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 2.8 t0 -43.29 -50.06 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.33 -47.99 77.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.865 ' HA ' HG21 ' A' ' 32' ' ' VAL . 3.6 t80 -54.76 -52.43 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -56.85 -38.52 72.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.587 ' NE ' HD13 ' A' ' 45' ' ' LEU . 20.0 ttp85 -55.58 -59.21 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.585 ' CB ' HG13 ' A' ' 32' ' ' VAL . 1.7 tm? -58.52 -52.78 64.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.07 -24.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 62' ' ' ILE . 13.6 tptt -92.52 -35.41 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 11.4 mt -61.98 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' HG2' HD22 ' A' ' 57' ' ' LEU . 57.2 mm-40 -53.67 -42.09 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 59' ' ' LYS . 50.9 mt -59.21 -54.0 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.0 mt -47.59 -64.71 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.671 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.7 m -45.76 145.56 2.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.4 Cg_endo -75.04 -60.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.15 112.87 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.9 p -166.9 124.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.7 94.54 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 110.3 10.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -84.56 107.78 3.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.86 166.45 19.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -140.73 -146.54 4.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.41 29.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.2 p -162.26 95.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t 58.94 81.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.872 ' C ' HD22 ' A' ' 14' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -166.29 164.52 17.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.958 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m 63.15 138.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.5 112.99 2.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.13 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -179.88 155.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.744 . . . . 0.0 110.021 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 176.1 143.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.34 170.75 34.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 t -167.07 149.41 6.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 110.401 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.02 156.17 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p 179.41 161.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -173.46 99.91 0.32 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.554 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -40.01 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.747 HG22 ' H ' ' A' ' 14' ' ' LEU . 2.2 p 45.25 -170.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.747 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -172.33 129.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -159.47 102.07 1.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.51 122.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.53 136.04 10.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -134.56 178.03 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.96 84.17 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.61 173.81 5.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 40.5 36.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -50.02 166.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.44 155.5 36.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.03 6.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.458 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -51.23 143.47 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -130.72 -50.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mt -100.5 136.97 39.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ARG . 19.7 p -82.45 165.54 20.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.062 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -37.85 -67.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -49.08 -48.96 43.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -56.06 -24.44 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.648 HG13 ' HB3' ' A' ' 57' ' ' LEU . 53.8 t -94.45 -33.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.843 HG23 ' CG2' ' A' ' 43' ' ' ILE . 68.0 mt -66.98 -38.24 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -51.79 -67.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.569 HH11 HD11 ' A' ' 57' ' ' LEU . 1.9 mpt_? -52.83 -59.7 4.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.626 ' CD1' HG12 ' A' ' 32' ' ' VAL . 80.2 mt -40.46 -67.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -42.56 -52.74 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -34.61 71.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' CZ ' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER -83.47 -5.95 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.13 9.35 87.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CD ' HD13 ' A' ' 60' ' ' ILE . 8.2 mm-40 -77.68 156.43 80.45 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.843 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -55.26 -41.84 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -135.3 113.71 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.96 -171.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -93.35 75.8 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.78 49.3 0.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.95 175.84 5.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 p -129.91 -168.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.27 -23.25 54.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.9 -38.04 12.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.86 -50.88 70.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.83 84.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 58' ' ' ARG . 2.6 t80 -61.34 -63.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -49.84 -34.6 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -57.6 -61.27 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.648 ' HB3' HG13 ' A' ' 32' ' ' VAL . 1.6 tm? -60.01 -51.26 70.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.98 -24.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.488 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.8 tppt? -92.58 -35.53 13.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.454 HD13 ' CD ' ' A' ' 41' ' ' GLU . 89.3 mt -61.96 -45.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.745 ' O ' HG11 ' A' ' 67' ' ' VAL . 45.4 mm-40 -51.47 -37.32 48.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 59' ' ' LYS . 59.5 mt -63.45 -60.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' THR . 22.7 mt -44.43 -84.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.433 HG21 ' CZ ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -38.41 147.94 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.433 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 39.26 81.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.745 HG11 ' O ' ' A' ' 61' ' ' GLU . 7.4 p -172.12 60.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -88.23 104.93 17.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.242 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -145.16 131.22 19.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -45.46 142.94 3.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.74 -58.79 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.47 157.28 7.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.65 26.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.37 145.21 26.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t 61.27 86.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p 179.77 167.98 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 p -177.03 168.2 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.26 -178.15 36.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.566 1.166 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.47 162.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.958 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.79 165.71 25.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.78 125.03 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.0 p -131.45 147.98 52.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p 177.54 105.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.49 133.17 2.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -110.81 116.02 52.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.18 4.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 13' ' ' VAL . 7.1 p -172.85 118.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -151.42 95.75 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -178.04 96.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mt -96.16 12.17 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 62.33 148.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -50.41 162.73 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.27 107.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -128.69 174.52 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 39.14 36.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.63 176.04 7.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.04 163.36 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -175.7 2.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -58.45 103.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -80.12 -49.11 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD12 ' HG2' ' A' ' 58' ' ' ARG . 1.5 mt -93.09 128.01 38.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 m -65.95 160.27 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.36 -62.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -41.21 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.31 -23.55 62.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 54' ' ' PHE . 4.8 t -93.63 -33.41 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.732 HG23 ' CG2' ' A' ' 43' ' ' ILE . 74.1 mt -69.52 -39.74 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -51.69 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' A' ' 57' ' ' LEU . 14.6 mtt85 -44.16 -65.68 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.581 HD21 ' HB2' ' A' ' 57' ' ' LEU . 96.2 mt -39.33 -50.55 2.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -57.28 -60.29 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -39.71 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -23.51 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.26 2.3 60.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.54 ' OE2' HD13 ' A' ' 60' ' ' ILE . 1.8 mm-40 -76.62 157.98 81.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.22 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.03 117.82 5.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.468 1.773 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.732 ' CG2' HG23 ' A' ' 33' ' ' ILE . 22.8 pt -47.55 -40.86 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -135.64 116.2 13.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.523 HD22 ' OE2' ' A' ' 48' ' ' GLU . 4.8 mp -80.32 148.32 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.67 113.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' GLU . . . 88.45 -40.85 3.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' OE2' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -38.93 139.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ASP . 5.1 t -94.37 154.86 17.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -49.25 3.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -40.91 75.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' THR . 1.7 t0 -60.36 -46.8 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.36 -40.29 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 25' ' ' MET . 4.8 t80 -68.91 -59.92 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -51.28 -45.82 62.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -52.64 -58.64 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.741 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -59.42 -50.14 75.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -48.56 -23.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -92.91 -29.52 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.54 HD13 ' OE2' ' A' ' 41' ' ' GLU . 71.1 mt -68.93 -47.34 76.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -50.35 -28.03 7.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 62' ' ' ILE . 4.2 mm -61.08 -51.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mt -43.21 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 t -40.69 145.89 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -162.96 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.04 145.75 49.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.757 HG13 ' N ' ' A' ' 68' ' ' ASN . 1.4 p -133.25 -153.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.757 ' N ' HG13 ' A' ' 67' ' ' VAL . 89.7 m-20 -65.71 112.88 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -157.99 139.22 13.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.54 123.77 6.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.82 157.56 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.33 87.81 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.22 29.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.793 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 p -173.76 162.07 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -109.09 154.84 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p 177.71 147.94 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -171.71 172.81 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.43 151.26 8.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -171.0 154.62 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.31 142.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.958 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.24 114.36 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 p -89.37 150.94 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.764 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 p -176.11 145.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.8 t -177.28 147.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.56 149.87 71.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 -41.34 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.1 p 40.43 56.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -124.88 100.23 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -164.33 124.27 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.61 105.51 4.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.24 131.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -116.55 143.24 45.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.57 -162.66 1.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 68.15 68.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' OE2' HD11 ' A' ' 62' ' ' ILE . 8.1 mm-40 -98.37 35.53 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -161.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.94 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 62.49 150.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.94 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.08 -162.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 1.6 ttt -59.93 102.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 24' ' ' PRO . 27.2 p -83.23 -43.79 15.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -101.87 111.93 24.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -66.62 167.69 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.969 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.85 -67.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -50.28 31.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 27' ' ' LEU . 24.8 tp10 -54.67 -23.88 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG22 HD12 ' A' ' 57' ' ' LEU . 8.4 t -94.88 -32.4 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.879 HG23 HG21 ' A' ' 43' ' ' ILE . 89.4 mt -69.74 -37.56 74.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -53.08 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HD3' HD11 ' A' ' 57' ' ' LEU . 13.1 mtt85 -55.55 -62.82 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 HG12 ' A' ' 32' ' ' VAL . 98.1 mt -39.8 -44.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -58.54 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.33 -34.83 69.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -66.6 -18.78 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.45 4.67 83.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.49 158.55 54.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.12 7.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.879 HG21 HG23 ' A' ' 33' ' ' ILE . 2.5 pt -52.58 -35.08 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -129.45 133.5 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -82.96 -172.61 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -76.48 73.96 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.6 50.75 2.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 1.8 mt-10 -104.88 164.2 11.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 52' ' ' ASP . 5.8 t -116.07 161.01 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.5 m-20 -40.36 -51.51 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.69 -62.19 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -46.85 -57.6 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.36 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 25' ' ' MET . 4.7 t80 -57.8 -55.43 34.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -55.95 -36.94 68.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -55.57 -58.9 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.672 HD12 HG22 ' A' ' 32' ' ' VAL . 1.6 tm? -61.59 -50.5 72.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.86 -24.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.708 ' HA ' HD12 ' A' ' 62' ' ' ILE . 2.5 ttpt -92.4 -35.28 13.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 67.6 mt -61.63 -45.74 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.9 -36.51 65.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 59' ' ' LYS . 46.2 mt -64.14 -48.76 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -68.07 -64.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.732 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.0 m -38.5 146.15 0.31 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.441 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.2 Cg_endo -74.95 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.49 112.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.2 t -137.3 88.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -82.53 99.98 9.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -101.42 146.5 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.16 141.02 15.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.58 168.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.49 -158.76 23.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.04 42.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.07 103.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 m -109.41 -57.76 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -170.11 -59.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 p -41.4 156.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.06 76.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.23 115.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.975 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -177.2 126.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.973 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.59 135.92 6.39 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.88 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -173.65 164.69 4.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.6 t 177.2 111.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -164.37 95.96 0.95 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.74 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.94 -46.98 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.77 178.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.7 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -134.38 -150.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' H ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER 43.65 69.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.59 -140.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 41.69 79.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -172.75 144.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.03 -173.04 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 79.87 55.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 23' ' ' LEU . 4.1 pt-20 -98.03 39.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -63.48 145.24 56.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -136.72 154.51 76.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 77.82 3.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 37.75 86.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.048 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.3 p -71.68 -40.39 69.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -107.02 131.09 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' ARG . 39.2 m -83.42 167.6 17.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -36.8 -62.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -54.52 -46.76 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -57.51 -24.57 56.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 54' ' ' PHE . 5.0 t -94.42 -32.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' ARG . 23.8 mt -68.69 -37.77 78.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.776 ' HD3' HD11 ' A' ' 57' ' ' LEU . 14.0 mtt85 -43.04 -63.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.241 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 57' ' ' LEU . 22.4 mt -39.7 -66.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -46.91 -51.69 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.83 -21.65 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -90.95 -21.38 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.77 17.8 37.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -92.47 157.65 39.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.7 5.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.403 ' CG2' HG23 ' A' ' 33' ' ' ILE . 34.5 pt -54.32 -38.25 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 49' ' ' THR . 2.4 tpt180 -138.59 111.33 7.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.475 HD12 ' CD ' ' A' ' 48' ' ' GLU . 2.1 mt -70.49 -171.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -83.81 72.66 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.6 50.83 0.68 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' CD ' HD12 ' A' ' 45' ' ' LEU . 3.7 mt-10 -115.97 165.98 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' NH1' ' A' ' 44' ' ' ARG . 14.9 t -130.15 163.95 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -46.8 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -60.48 -61.52 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.26 -55.41 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.96 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.651 ' HA ' HG21 ' A' ' 32' ' ' VAL . 4.0 t80 -59.07 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -45.76 -54.09 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.05 -60.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.776 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -60.79 -51.12 70.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -45.47 -25.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.9 tttt -92.3 -36.17 13.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LEU . 52.8 mt -60.75 -44.16 96.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -55.47 -39.22 70.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 59' ' ' LYS . 54.2 mt -65.29 -46.69 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.7 mt -45.46 -82.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 6.3 t -51.61 145.95 14.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' O ' HG12 ' A' ' 67' ' ' VAL . 18.4 Cg_endo -74.96 -70.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.523 1.802 . . . . 0.0 111.048 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -41.29 120.23 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 65' ' ' PRO . 7.5 p -158.75 120.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.07 112.46 7.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.01 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.21 164.21 21.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -91.15 116.83 29.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.7 -121.85 4.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 138.62 23.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.787 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.49 166.46 27.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.6 p -175.93 143.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.65 152.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.797 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 t -147.31 124.14 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.21 66.4 1.66 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 179.78 143.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -75.19 -59.43 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.43 67.74 1.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.3 m -146.38 -62.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 0.736 . . . . 0.0 110.446 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -165.17 148.77 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.5 p -140.87 86.75 2.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.8 98.94 0.39 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -88.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t 40.5 89.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.67 55.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -170.16 157.43 6.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -142.71 103.77 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.49 84.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.682 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 4.6 mp -53.86 156.42 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . 82.93 72.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.97 71.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.14 -22.19 27.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 176.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.762 HD23 HG21 ' A' ' 26' ' ' THR . 0.1 OUTLIER 66.36 152.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 1.1 ttt -44.65 107.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.912 ' O ' HD23 ' A' ' 27' ' ' LEU . 5.5 p -149.22 37.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 26' ' ' THR . 32.2 mt -142.34 111.25 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' ARG . 28.5 m -69.85 161.78 29.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -38.81 -57.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -46.54 76.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -58.09 -26.41 62.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 57' ' ' LEU . 69.0 t -92.3 -32.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.543 HG23 ' CG2' ' A' ' 43' ' ' ILE . 57.7 mt -67.79 -40.22 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HD3' HD11 ' A' ' 57' ' ' LEU . 2.0 mpt_? -41.88 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 57' ' ' LEU . 64.6 mt -39.8 -65.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.504 ' NH1' ' CG2' ' A' ' 33' ' ' ILE . 7.4 mtt85 -46.08 -52.77 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -57.74 -29.67 64.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -18.04 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.17 6.51 63.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -76.48 156.9 83.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.47 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.543 ' CG2' HG23 ' A' ' 33' ' ' ILE . 35.7 pt -51.35 -40.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 43' ' ' ILE . 1.6 tpt85 -138.01 115.21 10.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mt -74.57 -170.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.78 70.48 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.16 53.32 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -121.42 166.25 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.248 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 52' ' ' ASP . 9.0 t -130.17 -178.73 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -47.33 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -62.57 -62.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -47.39 -56.98 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.59 -50.76 59.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 25' ' ' MET . 27.3 t80 -59.77 -65.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -42.24 -46.81 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -46.99 -62.35 1.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.577 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.78 -24.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' LEU . 9.3 tttt -92.34 -35.56 13.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -61.38 -45.49 98.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.38 -37.25 64.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.34 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.73 -60.83 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.8 m -126.67 112.83 22.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -163.06 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.22 120.5 42.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.07 -58.75 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -168.67 143.59 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.75 140.53 56.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.08 -103.07 0.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.9 m -115.62 -57.44 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.56 -160.32 29.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -53.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 t -135.34 151.82 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 p -69.04 119.4 13.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -173.72 116.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -121.15 -63.35 1.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.5 118.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 p 179.19 128.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 110.025 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -174.11 143.69 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.02 130.63 6.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 8' ' ' THR . 10.0 t -175.14 103.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 110.443 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -172.82 145.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.3 t 177.73 128.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.9 t30 176.48 91.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.738 ' O ' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 -44.89 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.738 HG12 ' O ' ' A' ' 12' ' ' PRO . 6.1 p 50.78 178.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.705 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -126.2 -146.14 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 179.24 138.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.28 -140.24 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 46.99 95.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.29 154.26 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.69 92.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -106.99 52.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.248 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -96.71 35.17 1.55 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.36 -178.36 4.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD23 ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 66.51 167.59 0.12 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.577 ' HD2' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.01 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -53.93 104.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 24' ' ' PRO . 76.0 p -83.55 -47.44 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.34 111.14 23.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -66.97 167.63 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -64.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -45.71 49.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -58.79 -24.28 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.827 HG21 ' HA ' ' A' ' 54' ' ' PHE . 31.9 t -94.84 -33.18 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.577 HG23 HG21 ' A' ' 43' ' ' ILE . 11.5 mt -68.76 -36.83 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -54.89 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.665 ' HD3' HD11 ' A' ' 57' ' ' LEU . 12.5 mtt85 -50.54 -62.35 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.594 HD12 HG12 ' A' ' 32' ' ' VAL . 92.3 mt -39.54 -65.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -44.71 -54.14 6.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -37.88 64.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -17.28 59.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.37 10.33 65.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.14 157.11 68.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 18.4 Cg_endo -75.0 119.43 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.577 HG21 HG23 ' A' ' 33' ' ' ILE . 21.0 pt -54.3 -35.52 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' N ' HG13 ' A' ' 43' ' ' ILE . 2.9 tpt180 -135.45 106.31 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.8 mp -71.44 -79.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -168.84 102.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.73 -28.97 6.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -42.66 104.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 0.725 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASP . 5.1 t -76.28 169.21 18.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -39.31 -38.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -65.36 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -45.18 -53.35 8.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.09 -50.27 64.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.827 ' HA ' HG21 ' A' ' 32' ' ' VAL . 6.4 t80 -59.62 -42.19 92.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -59.07 -58.03 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.0 ttm-85 -39.17 -63.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.665 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.5 tm? -54.95 -49.95 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.91 -24.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.16 -35.46 13.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.473 HD12 ' CD2' ' A' ' 36' ' ' LEU . 42.0 mt -61.09 -46.23 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 35' ' ' ARG . 13.6 mm-40 -53.52 -44.56 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.8 mt -58.17 -57.41 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -49.18 -66.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.753 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.5 m -41.87 146.52 0.6 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.753 ' HD2' HG23 ' A' ' 64' ' ' THR . 18.4 Cg_endo -74.98 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 39.25 73.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.72 HG23 ' N ' ' A' ' 68' ' ' ASN . 4.4 m -72.74 -143.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.72 ' N ' HG23 ' A' ' 67' ' ' VAL . 37.3 t30 -109.25 92.76 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -52.15 123.34 10.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.71 -101.7 0.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 t 59.93 117.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.64 157.11 22.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.0 37.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.9 p 176.23 -65.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.81 118.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -138.67 113.42 9.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -149.68 -56.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.959 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.1 -117.07 3.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m 63.9 169.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 110.071 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m 63.41 136.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.07 179.35 43.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.7 p -136.27 81.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 t -178.33 83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.024 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.3 p 179.28 112.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -49.6 138.69 16.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.09 4.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.701 ' O ' HG12 ' A' ' 13' ' ' VAL . 25.2 t -149.48 69.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -172.55 125.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -167.26 52.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -126.62 -140.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' H ' HD12 ' A' ' 16' ' ' LEU . 20.8 mt-10 55.02 99.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.27 175.54 10.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.91 71.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 2.9 pt-20 -144.99 -165.2 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 5.8 tt0 83.94 -45.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' NZ ' HD11 ' A' ' 62' ' ' ILE . 0.1 OUTLIER 52.03 174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' A' ' 26' ' ' THR . 0.6 OUTLIER -152.75 162.91 25.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.431 ' CD ' HD23 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.02 96.72 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.432 1.754 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 49.44 100.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 111.022 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 23' ' ' LEU . 46.2 p -126.25 1.5 7.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.384 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 26' ' ' THR . 2.5 mt -134.83 135.61 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -84.92 166.54 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.532 ' HG2' HD11 ' A' ' 33' ' ' ILE . 14.1 ttm180 -39.04 -61.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.7 -46.86 70.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.26 -24.78 57.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG13 ' HB3' ' A' ' 57' ' ' LEU . 58.0 t -94.03 -32.86 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 29' ' ' ARG . 56.5 mt -69.76 -38.03 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -72.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.858 ' HD3' HD11 ' A' ' 57' ' ' LEU . 16.4 mtt85 -45.13 -65.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD2' HD12 ' A' ' 60' ' ' ILE . 95.4 mt -39.88 -54.91 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -54.52 -59.95 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -43.35 63.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -36.01 79.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.65 44.26 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -115.31 163.0 21.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.543 1.812 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.511 ' CG2' HG23 ' A' ' 33' ' ' ILE . 1.2 pt -58.6 -31.23 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.73 94.94 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.52 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -156.27 81.04 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.32 18.37 53.14 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.27 121.2 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.3 p -70.12 -168.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -73.69 -24.79 59.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -91.41 -31.98 15.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.94 -43.86 74.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -27.91 61.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 58' ' ' ARG . 15.0 t80 -71.09 -67.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -41.16 -31.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -65.88 -59.6 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.858 HD11 ' HD3' ' A' ' 35' ' ' ARG . 1.6 tm? -61.57 -51.0 70.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -45.81 -25.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -92.18 -35.63 13.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.593 HD12 ' CD2' ' A' ' 36' ' ' LEU . 16.1 mt -61.79 -46.43 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -50.11 -31.8 14.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.448 HD11 ' NZ ' ' A' ' 22' ' ' LYS . 61.2 mt -67.73 -57.51 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.5 mt -48.83 -63.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -120.65 91.76 47.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.35 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.34 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.1 148.4 35.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.9 p -78.99 -40.99 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.41 117.19 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -44.91 125.56 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.3 -116.58 2.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.81 -59.15 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.52 157.72 8.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 174.68 12.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -124.69 89.62 3.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 p -147.66 166.92 25.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.138 . . . . 0.0 111.031 180.0 . . . . . . . . 0 0 . 1 stop_ save_