data_1wwt_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 1wwt _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 ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 158.19 18.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 110.12 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 19.0 pt -106.39 173.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 135.28 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.26 117.38 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -89.17 126.89 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 79.3 mt -62.82 160.33 37.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.79 7.36 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -105.18 -9.54 17.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.4 -32.09 5.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.546 1.153 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.97 160.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -123.56 148.51 46.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.08 166.6 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.59 134.49 49.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.61 179.34 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -136.76 137.34 39.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -63.09 129.93 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 10.2 m95 56.13 38.14 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -141.0 -56.94 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.1 m -106.87 152.88 23.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.365 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -123.25 174.36 3.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.427 ' CB ' HD12 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.97 -20.49 16.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.1 t80 -73.68 -36.04 65.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -74.69 -51.43 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 30' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.1 mm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -90.78 136.23 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -98.99 125.64 44.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.567 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 54.5 t -112.36 100.58 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 79.85 29.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 75.62 23.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.84 139.19 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.2 t -52.38 129.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -134.09 147.85 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 2.8 m-20 -85.28 144.41 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -70.74 -29.23 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.47 -15.13 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.8 ttt85 -93.72 125.16 54.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.31 33.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -52.45 177.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.3 mt-10 -116.42 -36.31 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 14.6 pt-20 -175.44 -177.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -40.48 110.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.441 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 10.4 p -152.08 178.41 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -106.67 143.94 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 31' ' ' PRO . 21.8 tp -108.02 136.63 47.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -146.25 113.0 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.26 134.14 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -165.17 157.74 13.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 14.2 pt -104.1 166.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.1 136.0 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -129.84 115.61 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -87.13 137.77 32.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 40.0 mt -72.97 161.17 80.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.94 1.41 7.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -103.8 -7.37 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.93 21.34 12.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 1.5 mttt -99.42 167.89 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.12 146.69 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.3 t -142.16 157.78 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -103.77 128.95 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -139.89 178.06 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.2 mt-10 -137.39 134.45 35.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -59.85 130.14 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 59.14 34.97 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 11.0 mttm -138.23 -67.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.3 m -96.52 153.22 17.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.24 175.1 2.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -75.01 -29.41 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.799 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 9.8 t80 -66.56 -32.39 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ILE . 29.2 mt-30 -77.07 -55.94 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.2 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . . . -91.1 135.74 33.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -99.3 126.34 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.527 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 55.0 t -112.23 100.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.2 t-20 80.01 32.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.57 22.71 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.16 141.77 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.0 t -54.39 133.34 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.7 t-105 -140.06 124.89 18.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.16 143.18 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 4.5 mt -67.37 -37.32 82.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -86.52 49.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -155.84 128.69 4.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.07 33.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -58.89 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.0 mt-10 -118.27 -37.29 3.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 7.2 pt-20 -170.11 178.27 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.08 114.62 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.437 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 5.9 p -151.95 179.36 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 p -104.99 145.42 30.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 tp -109.02 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -142.64 108.35 5.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.93 130.36 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -155.17 175.41 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -75.06 117.96 5.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 18.5 pt -119.41 156.57 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -110.23 137.58 47.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.409 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 14.9 t -133.09 118.75 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 16' ' ' LEU . 8.1 m -88.88 147.2 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 35.7 mt -83.74 162.68 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.49 7.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -106.57 -12.76 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.65 -31.72 5.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.88 167.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.47 136.95 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.72 164.14 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.42 136.99 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.19 176.62 8.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.4 mt-10 -132.15 134.92 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 9' ' ' SER . 11.0 p -57.62 130.7 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.452 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 11.7 m95 54.19 40.32 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -139.66 -63.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.2 m -101.73 150.91 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.09 175.77 2.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.06 -20.04 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -73.0 -41.82 63.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ILE . 25.1 mt-30 -69.25 -53.87 17.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.9 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -98.27 132.79 43.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -98.76 143.81 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG23 ' CG ' ' A' ' 56' ' ' TRP . 55.8 t -131.53 98.05 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.9 t-20 83.14 23.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.2 t30 82.03 20.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.53 133.67 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -45.5 132.96 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.7 t-105 -137.93 148.93 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 107.98 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 39.0 m-20 -83.66 157.8 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.514 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -83.01 -29.64 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.42 -15.8 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -93.16 123.17 61.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 147.31 34.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -52.95 173.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 3.0 mt-10 -110.53 -38.21 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 2.6 pt-20 -171.43 -167.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -50.43 109.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.443 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 8.2 p -151.93 -179.46 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 108.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 p -98.25 172.9 7.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.44 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 31' ' ' PRO . 28.4 tp -142.41 125.4 16.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -139.28 120.62 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.54 131.72 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 6.5 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -163.04 157.79 17.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 44.6 pt -105.04 167.08 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.26 131.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.437 ' CG1' HD11 ' A' ' 34' ' ' ILE . 40.5 t -125.27 122.57 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -94.62 130.11 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 90.3 mt -66.14 160.78 61.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.02 1.84 7.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -103.42 -13.07 16.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.86 -32.1 5.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 160.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 t -140.88 164.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 132.65 50.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -135.65 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.453 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -135.42 134.22 39.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 p -59.13 132.66 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 54.02 35.75 22.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 14.0 mttm -135.49 -60.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.3 m -103.58 154.79 19.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.74 174.28 3.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -74.21 -37.09 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ILE . 15.9 mt-30 -73.42 -54.17 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HB1' ' CD1' ' A' ' 70' ' ' LEU . . . -92.15 136.08 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -98.91 144.08 28.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.567 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 49.4 t -129.79 97.93 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 81.29 24.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 3.6 t-20 82.22 18.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.78 133.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.7 t -47.0 135.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.0 155.17 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 7.9 m-20 -89.46 150.68 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -79.81 -28.26 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.14 -2.23 58.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.45 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 43.4 ttt85 -109.8 125.76 30.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.28 33.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -54.32 174.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 12.1 mt-10 -113.19 -38.88 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 3.4 pt-20 -165.96 172.71 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -40.47 113.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.434 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 5.9 p -151.34 175.1 12.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -94.8 144.3 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 31' ' ' PRO . 42.7 tp -111.74 133.01 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.55 126.66 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 17' ' ' PRO . 1.1 mm? -96.5 119.75 35.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' SER . 13.7 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.47 174.55 3.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.473 HG12 ' CA ' ' A' ' 25' ' ' GLU . 14.5 pt -117.34 153.1 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -109.62 129.22 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -123.9 111.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -85.68 124.61 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 20' ' ' LYS . 10.1 mt -63.69 161.12 38.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.93 3.09 5.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -103.49 -9.26 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.55 -32.2 6.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' CB ' HD13 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.1 154.29 16.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -111.12 157.37 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 t -142.25 160.42 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.71 123.96 48.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.59 172.25 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.473 ' CA ' HG12 ' A' ' 12' ' ' ILE . 16.1 mt-10 -131.12 136.63 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 9' ' ' SER . 39.9 p -57.43 142.79 42.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CZ2' ' CD ' ' A' ' 63' ' ' GLU . 9.6 m95 42.2 45.28 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.984 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -144.03 -65.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.9 m -101.62 148.29 25.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.85 174.65 2.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -19.93 17.29 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.85 -33.69 64.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 14.8 mt-30 -77.73 -53.47 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.2 mm . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.07 136.35 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -98.93 142.32 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.546 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 45.5 t -129.92 99.2 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 3.5 t-20 82.18 23.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 40.5 t30 82.09 20.85 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.15 135.25 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -48.22 128.85 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.4 t-105 -130.04 149.44 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 30.9 m-20 -86.35 149.01 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.72 -27.04 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.91 -4.5 59.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.1 ttt180 -105.46 125.03 34.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.44 34.05 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -53.75 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CD ' ' CZ2' ' A' ' 27' ' ' TRP . 1.3 mt-10 -111.88 -38.02 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -169.74 -175.18 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.38 111.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 7.8 p -152.01 178.9 8.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.334 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.7 p -95.13 167.04 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 31' ' ' PRO . 45.4 tp -137.53 122.14 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -135.61 118.32 16.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.01 129.07 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -165.16 158.33 13.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.417 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 24.0 pt -107.24 160.21 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 124.07 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.5 t -116.46 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.8 m -88.37 124.72 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 20' ' ' LYS . 13.6 mt -63.51 161.37 35.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 3.37 5.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -16.57 16.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.22 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HD3' ' CD1' ' A' ' 16' ' ' LEU . 25.1 tttt -59.73 155.62 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -113.32 153.85 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 23' ' ' ASP . 90.6 t -136.54 167.56 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 16.9 m-20 -112.23 126.81 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.72 179.11 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.3 mt-10 -133.82 142.21 47.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.0 p -64.47 130.33 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.415 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.3 m95 60.97 33.8 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 8.9 mttm -136.68 -66.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.458 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 76.2 m -99.81 144.5 28.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.11 176.44 1.57 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.12 17.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.0 -34.07 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -78.31 -53.81 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.5 mm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.32 133.39 35.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -98.94 146.7 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.529 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 42.8 t -132.59 98.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.8 t-20 81.65 24.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.4 t-20 81.92 19.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.89 135.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -50.73 127.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.9 t-105 -128.52 155.05 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.024 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 25.6 m-20 -91.9 146.65 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -26.65 59.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.46 4.37 46.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 1.6 ttm180 -116.79 126.35 27.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.16 33.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -51.85 178.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.415 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 7.8 mt-10 -117.73 -36.79 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 11.9 pt-20 -172.21 179.33 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -41.3 109.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.434 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 12.0 p -152.1 175.78 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.4 p -95.51 164.97 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.8 tp -131.01 129.55 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -142.85 123.47 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.37 129.74 37.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 1.4 pttp -155.84 174.64 3.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.08 124.58 8.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 14.7 pt -127.88 148.76 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.44 136.04 45.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.6 t -132.83 113.43 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -88.39 133.1 34.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 98.9 mt -68.75 161.08 74.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.99 1.8 7.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -9.82 18.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.69 -32.16 5.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -130.32 147.84 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.85 161.04 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -105.44 132.63 51.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.22 171.67 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 11.3 mt-10 -126.5 142.76 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -63.77 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.1 m95 49.82 29.92 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -129.14 -67.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.2 m -98.67 153.24 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.22 175.64 2.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -21.55 15.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.4 t80 -71.44 -39.3 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -71.28 -54.78 9.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.01 134.77 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -98.91 149.54 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.557 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 39.1 t -135.79 98.41 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 80.65 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 4.1 t-20 81.56 20.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.09 135.88 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.79 133.71 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.557 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -137.01 148.78 47.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 10.3 m-20 -83.96 153.0 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 mt -79.52 -33.09 42.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.25 -4.97 57.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -104.62 123.5 40.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.22 33.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.561 1.822 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.19 171.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -110.56 -37.87 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 13.7 pt-20 -167.64 174.99 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -40.46 114.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.424 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 25.5 p -152.05 178.0 9.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.265 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.3 p -96.32 155.08 16.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.0 tp -123.41 129.91 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -142.88 115.95 8.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.09 132.22 34.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 158.7 27.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' ALA . 22.4 pt -103.69 169.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 135.21 54.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.4 ' CG1' HD12 ' A' ' 34' ' ' ILE . 39.4 t -128.2 114.77 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 m -85.35 136.78 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 86.0 mt -73.19 161.44 79.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.03 1.9 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 -8.52 16.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.36 -32.12 6.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.97 169.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -132.7 151.07 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.2 t -142.27 163.87 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -103.36 137.14 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.11 176.82 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.453 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 33.4 mt-10 -137.22 125.26 22.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -54.48 122.24 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 65.5 40.05 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 108.055 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 1.5 mttt -145.06 -64.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.6 m -96.32 154.7 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p -123.64 173.94 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CB ' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.0 -24.15 13.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.9 t80 -71.06 -35.87 72.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 20.4 mt-30 -73.5 -55.15 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.0 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.82 134.3 34.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -99.78 128.72 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.514 HG23 ' CG ' ' A' ' 56' ' ' TRP . 42.8 t -113.82 98.04 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.1 t-20 78.85 31.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 22.4 m-20 76.59 17.22 1.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.11 136.4 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.9 t -52.47 130.85 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.514 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.8 t-105 -139.4 128.49 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.19 148.52 51.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.5 mt -69.2 -39.63 78.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -84.28 50.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.14 129.4 3.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.56 34.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -60.07 -177.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 56' ' ' TRP . 2.9 mt-10 -116.97 -35.67 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' O ' ' SG ' ' A' ' 66' ' ' CYS . 10.9 pt-20 -171.46 -175.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -48.59 113.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.443 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 6.2 p -152.16 -179.11 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.2 p -104.46 149.58 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 31' ' ' PRO . 16.5 tp -115.28 121.99 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.04 109.67 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 1.4 mm? -83.17 121.13 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.46 158.41 8.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 109.14 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 16.3 pt -104.76 172.33 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -124.55 135.88 53.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 41.6 t -128.26 137.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 m -104.54 131.74 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 68.9 mt -69.59 161.28 75.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 3.07 5.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -102.83 -14.02 16.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.3 -31.78 5.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 166.15 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.91 157.67 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.83 176.39 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.35 134.06 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.8 179.24 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -137.13 133.62 35.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -61.07 131.0 49.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.553 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 15.3 m95 59.1 35.69 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.14 -63.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.409 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 42.7 m -102.89 145.21 30.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.402 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.7 OUTLIER -114.77 176.62 1.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -75.0 -28.94 8.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.5 t80 -65.39 -31.8 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' ILE . 30.7 mt-30 -77.87 -57.54 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mm . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.58 139.21 34.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -100.6 146.1 27.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 52' ' ' ASN . 41.5 t -131.55 97.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.1 t-20 82.66 24.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 11.6 t30 82.24 19.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.25 133.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.4 t -45.86 136.08 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CG ' HG22 ' A' ' 51' ' ' VAL . 5.2 t-105 -140.71 124.78 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -59.52 142.61 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.9 mt -66.48 -39.18 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -85.67 49.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -154.74 126.85 3.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.79 32.98 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' CD2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -62.86 175.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 30.4 mt-10 -110.75 -34.07 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 15.7 pt-20 -171.15 174.08 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -40.64 119.71 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.414 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 29.4 p -152.49 -177.12 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 p -103.68 141.97 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 49.8 tp -108.11 140.65 40.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.27 108.51 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.69 124.76 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 71' ' ' LEU . 1.2 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.62 157.77 16.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.22 3.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 15.3 pt -109.02 170.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 132.2 53.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.9 t -122.78 114.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -87.18 124.78 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 33.1 mt -61.5 160.43 25.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.99 2.05 7.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -103.44 -11.21 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.96 -32.13 5.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' CB ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.18 166.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -124.22 154.76 39.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.6 t -142.13 158.58 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -102.86 128.63 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.48 178.79 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.2 mt-10 -137.14 138.67 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -64.65 128.05 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.553 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.7 m95 60.57 39.79 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -143.59 -67.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.47 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 86.4 m -101.2 140.16 35.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -111.39 176.32 1.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.816 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -69.88 -31.94 70.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -87.05 -34.85 19.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 30' ' ' THR . 1.6 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 71' ' ' LEU . 1.5 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.41 136.88 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -98.59 124.69 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.484 HG22 ' CG ' ' A' ' 56' ' ' TRP . 52.2 t -112.62 102.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 78.23 25.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.4 t-20 80.45 21.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.64 139.01 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.81 129.32 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.484 ' CG ' HG22 ' A' ' 51' ' ' VAL . 6.2 t-105 -133.6 124.99 27.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 107.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -64.77 143.12 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -38.66 91.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 49.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -157.54 124.78 2.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 146.08 32.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -61.38 174.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 36.5 mt-10 -109.56 -34.95 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 2.7 pt-20 -170.59 179.46 3.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -47.31 116.06 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 4.4 p -151.92 174.65 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 p -95.28 135.51 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -107.99 134.7 50.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -145.58 111.75 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.63 144.56 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 48' ' ' ILE . 83.8 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -148.3 158.21 41.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.19 2.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 44.2 pt -106.01 173.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 123.65 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 34' ' ' ILE . 62.8 t -112.11 116.85 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 m -87.23 124.93 33.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 14.2 mt -63.77 161.33 37.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 2.94 6.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.793 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.06 -15.48 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.24 5.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' CB ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -56.13 163.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -125.57 150.3 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.04 163.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 131.74 46.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.95 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 14.0 mt-10 -136.97 125.61 23.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.7 p -57.76 132.38 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.546 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.5 m95 61.07 30.41 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 4.4 mttm -136.77 -76.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 m -76.91 171.77 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -135.76 166.78 25.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -74.94 -19.76 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.5 t80 -80.93 -32.77 34.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -74.27 -48.85 25.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.471 HD13 ' CG1' ' A' ' 14' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.2 mm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 70' ' ' LEU . . . -90.9 138.14 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -101.48 124.3 46.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' CG ' ' A' ' 56' ' ' TRP . 44.3 t -109.85 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.9 35.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 71.2 24.43 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.08 138.3 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.34 130.46 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.517 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.1 t-105 -140.1 124.95 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.01 145.66 55.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.94 35.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -141.99 133.68 13.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.72 32.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -62.14 179.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 10.3 mt-10 -114.13 -37.46 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 7.4 pt-20 -177.23 -176.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -41.53 112.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.428 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 22.8 p -151.96 -175.2 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 p -111.18 147.41 35.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD12 ' CB ' ' A' ' 31' ' ' PRO . 38.3 tp -110.92 138.74 46.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -151.39 108.35 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -79.2 131.28 36.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.4 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.87 173.76 5.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 17.4 pt -113.0 163.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 122.01 41.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.38 113.19 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.5 m -87.63 124.77 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 5.0 mt -64.43 162.03 37.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 3.08 5.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.6 -17.37 17.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.05 -32.15 5.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 170.1 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -126.62 159.18 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -141.25 165.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -104.66 122.82 46.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.92 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' CA ' HG12 ' A' ' 12' ' ' ILE . 26.6 mt-10 -136.83 139.3 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 9' ' ' SER . 16.0 p -60.16 128.87 38.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 19.0 m95 60.29 36.02 20.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 4.2 mttm -134.26 -73.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.3 m -86.78 168.78 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.17 167.33 22.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.02 17.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -80.77 -33.06 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -74.08 -47.88 33.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -96.47 145.03 26.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -98.63 130.08 45.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.553 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 37.1 t -117.42 107.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.8 t-20 75.67 22.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.9 t-20 82.54 20.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -131.38 138.56 52.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.2 t -46.87 136.82 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 3.9 t-105 -145.94 127.48 15.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -66.35 143.08 57.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -70.27 -13.26 62.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.82 -30.36 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -77.59 126.29 84.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.01 33.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -52.56 175.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.4 mt-10 -117.29 -37.71 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 1.9 pt-20 -173.5 -178.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -40.81 109.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.425 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 24.8 p -152.17 -176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -102.13 172.17 7.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.397 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 13.0 tp -138.55 125.65 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -144.16 111.26 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 1.1 mm? -82.23 126.94 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -139.52 159.02 67.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 110.32 3.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' ALA . 22.4 pt -105.62 170.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 121.68 39.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.5 t -115.33 121.42 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.2 m -93.54 133.54 36.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 88.0 mt -71.12 161.81 76.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 2.93 6.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -103.53 -14.5 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 -31.99 5.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 168.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.743 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -131.1 149.63 52.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 t -137.85 158.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -101.32 124.43 47.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -133.73 179.14 6.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -134.9 133.72 39.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -63.44 120.94 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 7.6 m95 72.74 36.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.24 -61.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.9 m -99.39 148.09 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.64 174.58 2.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 18.1 Cg_endo -74.97 -21.3 16.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -73.77 -31.27 63.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -78.62 -53.7 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' LEU . 20.7 mm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -104.15 131.85 51.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -98.36 138.03 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.515 HG22 ' CG ' ' A' ' 56' ' ' TRP . 37.7 t -125.23 100.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.2 t-20 76.35 25.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 34.8 t30 81.88 19.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.88 128.49 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -44.67 134.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.515 ' CG ' HG22 ' A' ' 51' ' ' VAL . 6.1 t-105 -140.54 134.03 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.21 143.68 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -87.89 45.51 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -155.3 130.47 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -58.44 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 11.6 mt-10 -116.03 -34.39 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 16.2 pt-20 -178.29 179.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -40.09 109.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.438 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 23.5 p -152.2 170.79 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 p -93.42 149.66 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 31' ' ' PRO . 30.7 tp -116.23 131.94 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.73 122.88 12.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.88 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' ILE . 2.6 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 157.94 64.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.433 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 18.2 Cg_endo -75.05 111.66 3.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 12.3 pt -109.54 164.68 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.48 125.91 54.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' HD12 ' A' ' 34' ' ' ILE . 53.5 t -117.82 111.85 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -85.12 128.49 34.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 20.5 mt -66.43 161.09 61.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 3.17 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -102.93 -14.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.61 -32.24 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CB ' HD11 ' A' ' 16' ' ' LEU . 1.3 mmmt -56.3 165.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.76 153.03 44.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.36 161.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.38 128.46 45.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -135.61 174.55 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 11' ' ' PRO . 1.5 mm-40 -134.44 137.04 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.5 p -64.69 130.9 45.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 59.53 34.1 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 107.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -138.58 -62.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 m -99.08 158.15 15.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.427 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 1.7 p -127.86 172.77 6.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CB ' HD11 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -74.94 -19.23 18.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.9 t80 -75.05 -34.38 61.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -76.5 -47.87 21.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.451 HD12 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.8 mm . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.11 132.35 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -99.45 132.14 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.535 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 39.9 t -117.59 102.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.1 28.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.3 t30 77.74 21.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.12 134.62 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -47.54 134.34 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -139.97 145.9 38.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 4.9 m-20 -80.11 151.32 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -76.17 -28.79 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.19 -31.41 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 12.2 ttt85 -76.7 123.24 87.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -50.41 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.7 mt-10 -115.48 -39.06 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 13.0 pt-20 -169.26 -177.51 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -43.59 110.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 9.7 p -152.18 173.47 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 p -100.21 144.86 28.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD11 ' CB ' ' A' ' 31' ' ' PRO . 26.1 tp -108.35 132.24 53.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.99 120.15 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 1.2 mm? -90.53 120.93 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.5 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 158.09 21.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ALA . 27.6 pt -108.62 168.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 129.39 54.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG1' HD12 ' A' ' 34' ' ' ILE . 46.1 t -121.0 112.94 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -85.59 130.33 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 74.3 mt -66.82 160.84 66.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -104.3 -12.01 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.36 -32.14 5.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' CB ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -53.2 162.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 0.803 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -122.11 147.5 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 23' ' ' ASP . 62.0 t -131.59 166.55 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 22' ' ' VAL . 1.7 m-20 -117.08 123.3 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -139.78 179.31 6.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 20.6 mt-10 -132.15 142.71 49.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 p -61.39 137.1 58.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 21.1 m95 56.66 21.55 5.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 3.0 mttm -120.44 -78.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.425 ' HB ' ' CB ' ' A' ' 24' ' ' ALA . 98.3 m -81.03 162.09 23.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.81 168.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -74.99 -20.19 17.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.8 t80 -79.7 -35.11 39.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ILE . 11.1 mt-30 -71.41 -51.28 24.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' CG1' ' A' ' 14' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.0 mm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -94.15 133.32 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -98.72 132.54 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG21 ' CG ' ' A' ' 56' ' ' TRP . 50.0 t -120.16 97.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 79.18 35.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.08 23.21 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.45 132.54 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -47.81 132.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CG ' HG21 ' A' ' 51' ' ' VAL . 6.6 t-105 -136.1 150.66 49.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 36.9 m-20 -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -82.85 -18.99 38.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.45 -18.1 22.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 21.6 ttt180 -90.3 127.54 52.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.96 33.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' N ' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -54.98 173.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -113.19 -38.7 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.14 -177.29 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.7 113.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 6.9 p -152.09 -176.88 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.3 p -98.34 170.4 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.7 tp -141.16 124.19 16.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -139.82 109.45 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.5 125.48 29.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -164.71 158.7 15.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.28 2.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 26.5 pt -105.55 156.79 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -110.29 136.34 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.3 t -131.25 116.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m -90.85 125.03 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 36.4 mt -60.1 160.09 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.0 1.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -103.22 -11.6 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.7 -32.2 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' CB ' HD11 ' A' ' 16' ' ' LEU . 5.9 mtmm -54.74 164.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 0.779 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' NE2' ' HE2' ' A' ' 13' ' ' LYS . 75.1 mt-30 -121.39 154.56 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.6 t -143.31 161.07 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.44 133.1 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -137.63 171.08 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 34.8 mt-10 -134.11 131.52 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -57.3 134.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.9 m95 51.24 40.58 26.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 9.0 mmmt -142.16 -74.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -94.29 153.86 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.465 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -122.4 179.72 0.94 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.03 -30.4 7.17 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.514 1.797 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.524 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -66.09 -47.33 74.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -71.61 -25.79 62.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 68' ' ' LEU . 12.3 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LEU . 6.4 mm . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . . . -97.79 137.56 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -98.9 138.57 35.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.508 HG23 ' CG ' ' A' ' 56' ' ' TRP . 45.7 t -123.97 97.95 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.5 t-20 80.12 30.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 76.25 20.88 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.69 130.08 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG12 ' CG2' ' A' ' 48' ' ' ILE . 28.6 t -44.64 138.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.508 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.8 t-105 -141.81 133.02 26.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -71.35 139.29 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.2 mt -65.44 -31.73 72.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -89.11 46.04 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -157.3 129.69 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.43 32.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -57.79 -177.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -117.71 -36.38 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 1.1 pt-20 -172.78 175.68 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.01 115.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.43 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 24.7 p -152.07 -176.17 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 p -107.69 143.35 36.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 34' ' ' ILE . 62.3 tp -107.96 137.93 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -153.68 106.86 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -74.88 138.49 42.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ILE . 1.6 mp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.19 157.96 31.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 109.97 3.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 11.3 pt -108.13 169.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.32 133.89 55.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 44.7 t -126.31 117.39 48.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -86.59 138.39 31.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 68.7 mt -74.48 161.41 78.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.05 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -108.9 -3.78 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.64 -32.08 6.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.21 167.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -134.12 151.79 51.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.5 t -144.56 161.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.83 131.62 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.28 179.06 6.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 38.2 mt-10 -137.22 135.98 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 p -65.52 125.87 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 64.24 34.59 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -140.28 -63.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.5 m -98.88 150.05 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 110.391 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.93 174.96 2.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -26.8 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.7 t80 -69.3 -37.36 77.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 mt-30 -71.68 -54.02 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.6 mm . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -103.62 136.63 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -99.28 136.55 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.529 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 45.7 t -123.47 98.8 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.3 t-20 81.83 24.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.9 t-20 81.72 19.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.1 134.09 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 t -46.32 137.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.8 t-105 -142.8 128.57 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.2 147.17 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.2 mt -71.09 -36.47 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.91 47.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -155.27 129.68 4.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.251 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.58 35.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -60.76 178.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 6.6 mt-10 -111.2 -34.92 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 pt-20 -177.9 -179.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.81 112.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.427 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 23.5 p -152.14 179.18 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.0 p -103.29 144.82 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 62.0 tp -110.6 136.16 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -150.16 116.57 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 129.14 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.02 158.53 12.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.412 ' CA ' ' OE2' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.97 110.61 3.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 42.8 pt -106.89 171.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.89 135.08 49.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -128.88 119.38 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.7 m -88.44 124.93 34.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD1' ' HD3' ' A' ' 20' ' ' LYS . 10.0 mt -63.8 161.2 39.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.0 2.88 6.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -101.32 -15.64 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.84 -31.44 5.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD3' ' CD1' ' A' ' 16' ' ' LEU . 23.0 tttt -60.75 154.93 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -108.99 152.5 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HD13 ' A' ' 16' ' ' LEU . 86.2 t -131.84 165.94 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 22.6 m-20 -114.65 126.61 55.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.88 178.27 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.6 mm-40 -134.94 141.89 46.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -62.02 130.36 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 58.0 41.33 24.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -142.36 -71.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.5 m -97.42 152.5 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.465 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -121.48 -179.8 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.98 -28.78 8.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 3.3 t80 -66.88 -51.22 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.41 -30.83 70.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.443 HG21 ' CD2' ' A' ' 68' ' ' LEU . 6.6 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.4 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -96.23 131.49 42.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -99.13 128.4 45.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 56' ' ' TRP . 48.0 t -115.16 99.98 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.11 34.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.46 21.79 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.358 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -131.24 133.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.2 t -47.44 136.94 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.515 ' CG ' HG21 ' A' ' 51' ' ' VAL . 5.5 t-105 -143.09 133.35 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -70.26 145.07 51.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.0 mt -70.29 -31.09 68.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -90.36 39.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -148.65 128.09 6.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.9 33.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.416 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.52 -178.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -115.32 -33.35 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 11.0 pt-20 -175.31 177.75 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -41.16 113.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.432 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 25.4 p -151.83 179.68 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 p -100.34 155.03 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.443 ' CD2' HG21 ' A' ' 34' ' ' ILE . 45.5 tp -124.87 133.77 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -144.02 110.99 5.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.41 124.49 27.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 2.6 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -169.07 157.64 7.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 15.6 pt -111.24 167.24 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -115.81 137.43 52.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 60.4 t -131.6 119.81 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -91.33 144.97 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 39.4 mt -80.59 162.38 60.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.96 1.43 7.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.41 -13.26 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 -32.02 5.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.26 159.12 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -123.15 151.59 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 t -141.62 160.57 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.26 132.38 46.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -138.55 177.84 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 28' ' ' LYS . 2.1 mp0 -137.14 135.52 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 p -59.57 135.29 57.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CZ2' ' OE2' ' A' ' 63' ' ' GLU . 8.5 m95 51.88 37.65 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -139.15 -64.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.6 m -99.4 155.54 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.442 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 2.0 p -125.2 173.32 5.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' CB ' HD11 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.01 -19.95 17.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.811 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.0 t80 -74.16 -36.11 64.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ILE . 8.1 mt-30 -74.27 -54.15 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.02 133.31 35.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' NZ ' HD23 ' A' ' 71' ' ' LEU . 13.5 mttp -98.79 132.95 43.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.573 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 53.5 t -120.02 100.31 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 80.01 29.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.6 t30 75.7 22.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.27 135.89 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.14 131.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.573 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.9 t-105 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 70.2 m-20 -85.72 151.2 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 2.1 mt -76.39 -27.58 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.83 -22.25 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 2.1 ttt180 -86.33 124.43 69.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 147.31 33.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -52.75 175.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' OE2' ' CZ2' ' A' ' 27' ' ' TRP . 3.2 mt-10 -113.83 -39.3 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 12.3 pt-20 -173.11 -178.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' GLU . 2.8 p-10 -40.23 110.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 24.7 p -152.11 177.49 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 p -102.3 145.09 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 31' ' ' PRO . 30.3 tp -113.34 139.14 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -150.3 125.05 9.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.5 118.04 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.414 HD23 ' NZ ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -164.08 163.81 15.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 112.55 3.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 26.2 pt -106.59 162.45 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -113.17 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.76 114.6 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 m -89.52 128.84 36.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 46.9 mt -64.18 160.19 50.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HG3' ' CD2' ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.05 1.58 7.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.541 1.811 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.53 -5.63 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.98 -32.04 6.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.6 166.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.85 152.08 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.5 t -141.24 163.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -104.61 131.44 52.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.85 175.74 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 34.0 mt-10 -137.27 133.03 34.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 p -58.33 128.98 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.4 m95 58.48 41.17 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -143.06 -65.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.7 m -98.8 154.55 17.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.13 173.89 4.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.94 -21.56 15.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.0 t80 -73.83 -33.82 64.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ILE . 26.9 mt-30 -77.21 -53.15 8.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.8 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . . . -92.08 131.41 37.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 53' ' ' ASN . 16.3 mttm -98.95 142.27 30.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 ' CG ' ' A' ' 56' ' ' TRP . 54.8 t -128.35 99.25 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 80.72 29.67 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.6 OUTLIER 76.63 20.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -130.53 132.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.6 t -46.8 134.5 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.513 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.7 t-105 -139.92 124.99 18.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.49 142.77 58.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.411 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -64.29 -40.18 95.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -83.98 51.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.54 127.78 3.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.12 33.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -58.62 -177.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 57.4 mt-10 -117.77 -35.73 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 5.7 pt-20 -175.94 -179.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -40.8 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.441 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 9.1 p -152.18 174.28 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 p -94.99 161.29 14.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 tp -127.18 128.39 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -139.63 121.57 15.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -89.09 129.16 35.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -80.17 114.24 18.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 t -48.4 112.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.36 115.57 6.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -140.81 100.67 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.032 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m 41.45 90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.68 76.55 0.41 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.77 98.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t -46.92 172.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 158.19 18.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 110.12 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 19.0 pt -106.39 173.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 135.28 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.6 t -125.26 117.38 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -89.17 126.89 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 79.3 mt -62.82 160.33 37.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.79 7.36 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -105.18 -9.54 17.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.4 -32.09 5.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.546 1.153 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.97 160.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -123.56 148.51 46.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.08 166.6 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.59 134.49 49.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.61 179.34 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -136.76 137.34 39.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -63.09 129.93 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 10.2 m95 56.13 38.14 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -141.0 -56.94 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.1 m -106.87 152.88 23.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.365 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -123.25 174.36 3.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.427 ' CB ' HD12 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.97 -20.49 16.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.1 t80 -73.68 -36.04 65.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -74.69 -51.43 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -44.47 -47.13 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.33 -54.13 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.6 m -43.11 -46.69 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.77 -48.1 5.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' SER . 6.3 mt -61.13 167.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' ILE . 69.2 m -39.21 122.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -47.49 122.92 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.37 -34.22 2.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.46 -58.66 7.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.89 68.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -61.37 -34.37 75.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -103.25 60.37 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 47' ' ' VAL . 27.5 m -133.22 172.03 13.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.405 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -139.95 -83.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.1 mm -121.77 128.28 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -90.78 136.23 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -98.99 125.64 44.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.567 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 54.5 t -112.36 100.58 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 79.85 29.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 75.62 23.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.84 139.19 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.2 t -52.38 129.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -134.09 147.85 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 2.8 m-20 -85.28 144.41 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -70.74 -29.23 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.47 -15.13 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.8 ttt85 -93.72 125.16 54.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.31 33.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -52.45 177.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.3 mt-10 -116.42 -36.31 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 14.6 pt-20 -175.44 -177.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -40.48 110.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.441 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 10.4 p -152.08 178.41 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -106.67 143.94 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 HD12 ' CB ' ' A' ' 31' ' ' PRO . 21.8 tp -108.02 136.63 47.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -146.25 113.0 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.26 134.14 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 0.6 OUTLIER -90.65 154.16 19.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -30.78 38.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.529 ' CD2' ' O ' ' A' ' 74' ' ' GLU . 11.1 t80 171.69 153.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 8.0 mt-10 -47.42 164.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.33 90.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.3 70.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -170.61 150.81 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.68 165.03 37.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.95 -57.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.6 93.3 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.8 p -172.09 155.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 5.7 p90 -45.53 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.6 p -131.71 127.2 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -49.88 105.9 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.93 10.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.3 p -66.66 146.98 53.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m 64.63 83.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.36 142.11 5.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 110.003 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -156.99 159.19 37.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.85 -170.44 44.25 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.74 102.2 4.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -75.79 140.24 42.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.047 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.32 118.75 7.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -156.84 115.15 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -68.09 178.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -165.17 157.74 13.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 14.2 pt -104.1 166.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.1 136.0 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -129.84 115.61 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -87.13 137.77 32.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 40.0 mt -72.97 161.17 80.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.94 1.41 7.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -103.8 -7.37 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.93 21.34 12.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 1.5 mttt -99.42 167.89 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.12 146.69 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.3 t -142.16 157.78 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -103.77 128.95 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -139.89 178.06 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.2 mt-10 -137.39 134.45 35.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -59.85 130.14 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 59.14 34.97 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 11.0 mttm -138.23 -67.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.3 m -96.52 153.22 17.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.24 175.1 2.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -75.01 -29.41 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.799 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 9.8 t80 -66.56 -32.39 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ILE . 29.2 mt-30 -77.07 -55.94 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -40.02 -60.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.67 -58.29 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -57.99 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 108.234 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.76 -55.49 1.77 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.123 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.461 HD11 ' CD2' ' A' ' 16' ' ' LEU . 3.7 mt -48.94 -66.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.78 130.4 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -69.68 132.09 45.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . 125.15 -54.97 0.73 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -40.56 -49.47 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.09 -49.89 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' GLY . 11.3 t0 -52.58 -53.21 49.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -60.86 -46.14 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 70' ' ' LEU . 60.4 m -47.26 163.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -122.48 -65.21 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.2 mm -141.48 134.92 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . . . -91.1 135.74 33.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -99.3 126.34 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.527 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 55.0 t -112.23 100.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.2 t-20 80.01 32.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.57 22.71 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.16 141.77 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.0 t -54.39 133.34 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.7 t-105 -140.06 124.89 18.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.16 143.18 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 4.5 mt -67.37 -37.32 82.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -86.52 49.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -155.84 128.69 4.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.07 33.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -58.89 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.0 mt-10 -118.27 -37.29 3.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 7.2 pt-20 -170.11 178.27 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.08 114.62 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.437 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 5.9 p -151.95 179.36 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 p -104.99 145.42 30.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 tp -109.02 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -142.64 108.35 5.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 46' ' ' THR . 0.6 OUTLIER -79.93 130.36 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' C ' ' CG2' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -86.74 153.46 21.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 3.9 mttt -81.74 -50.71 8.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 8.1 m-85 -169.68 43.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -111.91 100.44 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -151.28 84.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -111.39 -14.98 13.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -75.84 106.57 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.57 177.54 7.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.47 107.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 55.05 90.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 82' ' ' TYR . 12.2 p -173.05 -41.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.413 ' N ' HG11 ' A' ' 81' ' ' VAL . 1.3 t80 -154.53 136.91 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.82 -49.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.71 157.44 30.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.62 2.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 p -106.67 144.69 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.02 95.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -81.92 -55.66 4.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t 63.49 109.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.95 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.89 130.08 3.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.26 137.17 36.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.0 147.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.97 67.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.03 155.27 8.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t -51.02 163.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -155.17 175.41 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -75.06 117.96 5.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 18.5 pt -119.41 156.57 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -110.23 137.58 47.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.409 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 14.9 t -133.09 118.75 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 16' ' ' LEU . 8.1 m -88.88 147.2 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 35.7 mt -83.74 162.68 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.49 7.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -106.57 -12.76 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.65 -31.72 5.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.88 167.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.47 136.95 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.72 164.14 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.42 136.99 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.19 176.62 8.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.4 mt-10 -132.15 134.92 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 9' ' ' SER . 11.0 p -57.62 130.7 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.452 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 11.7 m95 54.19 40.32 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -139.66 -63.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.2 m -101.73 150.91 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.401 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.09 175.77 2.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.06 -20.04 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -73.0 -41.82 63.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ILE . 25.1 mt-30 -69.25 -53.87 17.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.8 OUTLIER -39.82 -61.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.19 -68.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -43.29 -50.53 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.24 -60.09 1.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mt -43.84 -82.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -145.2 131.22 19.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -54.38 107.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 148.58 -44.35 0.76 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.145 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tt -51.44 -48.23 62.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.85 -25.13 66.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.9 t70 -62.15 -46.2 90.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -93.23 76.21 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.2 m -149.17 137.64 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.476 HG13 ' CB ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -115.29 -47.21 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 6.9 mm -151.86 133.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -98.27 132.79 43.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -98.76 143.81 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG23 ' CG ' ' A' ' 56' ' ' TRP . 55.8 t -131.53 98.05 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.9 t-20 83.14 23.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.2 t30 82.03 20.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.53 133.67 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -45.5 132.96 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.511 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.7 t-105 -137.93 148.93 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 107.98 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 39.0 m-20 -83.66 157.8 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -83.01 -29.64 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.42 -15.8 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -93.16 123.17 61.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 147.31 34.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -52.95 173.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 3.0 mt-10 -110.53 -38.21 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 2.6 pt-20 -171.43 -167.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -50.43 109.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.443 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 8.2 p -151.93 -179.46 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 108.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 p -98.25 172.9 7.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.44 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 31' ' ' PRO . 28.4 tp -142.41 125.4 16.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -139.28 120.62 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.54 131.72 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' CB ' HG13 ' A' ' 47' ' ' VAL . 1.2 mp -97.92 154.69 17.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -96.22 -34.56 11.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CA ' HG12 ' A' ' 47' ' ' VAL . 38.5 t80 -169.42 139.27 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.09 167.78 10.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.88 95.9 5.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.54 172.45 13.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -52.68 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -177.0 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 38.79 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 81' ' ' VAL . . . 57.16 -99.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.495 ' CB ' ' O ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER 85.61 -5.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 49.16 -176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.7 m 41.07 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.15 159.75 52.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 111.93 3.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.81 98.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.5 p -161.42 129.56 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m 60.85 121.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 t 41.14 87.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.95 -86.36 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.64 94.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.012 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.4 -64.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.51 178.14 49.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -101.13 160.4 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 6.5 t 56.16 178.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -163.04 157.79 17.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 44.6 pt -105.04 167.08 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.26 131.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' CG1' HD11 ' A' ' 34' ' ' ILE . 40.5 t -125.27 122.57 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -94.62 130.11 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 90.3 mt -66.14 160.78 61.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.02 1.84 7.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -103.42 -13.07 16.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.86 -32.1 5.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 160.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 t -140.88 164.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 132.65 50.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -135.65 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.453 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -135.42 134.22 39.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 p -59.13 132.66 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 54.02 35.75 22.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 14.0 mttm -135.49 -60.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.3 m -103.58 154.79 19.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.74 174.28 3.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -74.21 -37.09 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ILE . 15.9 mt-30 -73.42 -54.17 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.0 OUTLIER -40.24 -58.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -48.01 -59.4 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -41.9 -46.47 4.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.94 -55.22 6.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 35' ' ' ALA . 1.9 mp -40.68 -71.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -161.88 121.49 2.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.148 . . . . 0.0 109.969 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -43.56 108.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.19 -38.94 1.21 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.9 -52.63 63.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.57 62.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -30.53 68.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -102.92 69.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 m -138.52 147.4 43.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 74' ' ' GLU . 3.5 t -106.71 -65.22 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -147.93 126.45 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HB1' ' CD1' ' A' ' 70' ' ' LEU . . . -92.15 136.08 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -98.91 144.08 28.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.567 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 49.4 t -129.79 97.93 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 81.29 24.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 3.6 t-20 82.22 18.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.78 133.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.7 t -47.0 135.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.0 155.17 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 7.9 m-20 -89.46 150.68 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -79.81 -28.26 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.14 -2.23 58.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 43.4 ttt85 -109.8 125.76 30.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.28 33.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -54.32 174.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 12.1 mt-10 -113.19 -38.88 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 3.4 pt-20 -165.96 172.71 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -40.47 113.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.434 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 5.9 p -151.34 175.1 12.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -94.8 144.3 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 31' ' ' PRO . 42.7 tp -111.74 133.01 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.55 126.66 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD2' ' HG3' ' A' ' 17' ' ' PRO . 1.1 mm? -96.5 119.75 35.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.71 154.07 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.8 ttpp -105.69 125.78 51.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.483 ' C ' ' O ' ' A' ' 72' ' ' LYS . 2.4 m-85 31.18 47.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CG ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -38.08 135.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.44 24.47 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.61 -54.8 7.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.49 -169.38 2.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.93 -49.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -51.95 52.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -103.09 93.89 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -153.09 -50.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -106.22 142.87 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.9 p -140.72 83.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.31 157.48 51.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.33 21.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 t -147.0 122.86 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.32 105.97 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.73 163.84 37.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.64 120.82 39.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.8 160.15 27.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -85.11 -61.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -73.9 112.51 10.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.65 94.26 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.21 161.86 30.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' SER . 13.7 p -48.51 164.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.47 174.55 3.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.473 HG12 ' CA ' ' A' ' 25' ' ' GLU . 14.5 pt -117.34 153.1 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -109.62 129.22 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -123.9 111.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -85.68 124.61 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 20' ' ' LYS . 10.1 mt -63.69 161.12 38.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.93 3.09 5.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -103.49 -9.26 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.55 -32.2 6.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' CB ' HD13 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.1 154.29 16.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -111.12 157.37 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 t -142.25 160.42 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.71 123.96 48.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.59 172.25 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.473 ' CA ' HG12 ' A' ' 12' ' ' ILE . 16.1 mt-10 -131.12 136.63 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 9' ' ' SER . 39.9 p -57.43 142.79 42.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CZ2' ' CD ' ' A' ' 63' ' ' GLU . 9.6 m95 42.2 45.28 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.984 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -144.03 -65.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.9 m -101.62 148.29 25.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.85 174.65 2.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -19.93 17.29 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 8.2 t80 -73.85 -33.69 64.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 14.8 mt-30 -77.73 -53.47 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt -40.13 -52.29 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.9 -58.75 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.2 t -43.61 -50.85 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.55 -45.97 12.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mt -68.12 -92.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.47 144.16 26.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -77.98 126.15 30.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.06 23.24 78.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -55.99 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 32' ' ' TYR . . . -47.83 -43.26 27.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -49.12 -31.84 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -107.3 65.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -139.71 127.56 22.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 73' ' ' PHE . 53.2 t -72.92 -72.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.2 mm -149.34 132.55 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.07 136.35 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -98.93 142.32 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.546 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 45.5 t -129.92 99.2 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 3.5 t-20 82.18 23.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 40.5 t30 82.09 20.85 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.15 135.25 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.1 t -48.22 128.85 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.4 t-105 -130.04 149.44 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 30.9 m-20 -86.35 149.01 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.72 -27.04 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.91 -4.5 59.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.1 ttt180 -105.46 125.03 34.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.44 34.05 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -53.75 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CD ' ' CZ2' ' A' ' 27' ' ' TRP . 1.3 mt-10 -111.88 -38.02 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -169.74 -175.18 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.38 111.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 7.8 p -152.01 178.9 8.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.334 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.7 p -95.13 167.04 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 31' ' ' PRO . 45.4 tp -137.53 122.14 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -135.61 118.32 16.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.01 129.07 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 mp -91.31 137.73 32.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.34 35.84 2.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -177.29 142.23 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -113.04 166.85 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.557 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 10.9 t0 -167.98 97.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -179.7 136.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.68 80.39 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 46.21 87.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -167.16 111.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 64.2 88.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 p -149.8 152.3 11.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -44.61 140.92 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 73.69 73.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.02 -84.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 t 74.88 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -138.56 88.77 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.958 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.9 146.62 11.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 110.016 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -160.84 160.44 31.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.29 -129.38 1.76 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.54 107.27 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.27 74.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.98 -173.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -153.16 163.29 40.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p -64.46 -175.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -165.16 158.33 13.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.417 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 24.0 pt -107.24 160.21 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 124.07 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.5 t -116.46 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.8 m -88.37 124.72 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 20' ' ' LYS . 13.6 mt -63.51 161.37 35.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 3.37 5.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -16.57 16.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.22 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HD3' ' CD1' ' A' ' 16' ' ' LEU . 25.1 tttt -59.73 155.62 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -113.32 153.85 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 23' ' ' ASP . 90.6 t -136.54 167.56 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 16.9 m-20 -112.23 126.81 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.72 179.11 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.3 mt-10 -133.82 142.21 47.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.0 p -64.47 130.33 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.415 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.3 m95 60.97 33.8 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 8.9 mttm -136.68 -66.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.458 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 76.2 m -99.81 144.5 28.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.11 176.44 1.57 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.12 17.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.0 -34.07 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -78.31 -53.81 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -41.92 -50.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.87 -49.17 69.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -56.84 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.3 -56.76 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 39' ' ' SER . 5.1 mt -52.75 166.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.457 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 68.3 m -39.37 130.1 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.047 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -52.52 123.95 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.78 -36.23 2.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -49.02 71.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.23 88.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.01 -43.89 78.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -86.66 51.78 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.405 HG21 ' CD1' ' A' ' 70' ' ' LEU . 27.8 m -131.64 121.46 24.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.35 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 0.5 OUTLIER -94.42 -50.14 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.511 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 11.5 mm -151.01 127.99 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.32 133.39 35.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -98.94 146.7 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.529 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 42.8 t -132.59 98.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.8 t-20 81.65 24.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.4 t-20 81.92 19.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.89 135.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -50.73 127.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.9 t-105 -128.52 155.05 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.024 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 25.6 m-20 -91.9 146.65 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -26.65 59.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.46 4.37 46.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 1.6 ttm180 -116.79 126.35 27.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.16 33.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -51.85 178.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 7.8 mt-10 -117.73 -36.79 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 11.9 pt-20 -172.21 179.33 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -41.3 109.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.434 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 12.0 p -152.1 175.78 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.4 p -95.51 164.97 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.8 tp -131.01 129.55 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -142.85 123.47 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.405 ' CD1' HG21 ' A' ' 46' ' ' THR . 0.8 OUTLIER -91.37 129.74 37.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CB ' HG13 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -94.58 154.02 17.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.01 -31.53 14.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.474 ' CA ' HG12 ' A' ' 47' ' ' VAL . 37.7 t80 -173.06 134.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.31 71.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 60.27 106.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -42.52 116.1 0.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.14 146.94 31.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.18 173.14 10.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.44 -62.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.88 71.22 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p -167.58 154.28 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.71 97.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -49.3 150.25 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.85 -90.08 0.61 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 111.41 3.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.85 100.25 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.09 158.69 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -105.57 93.66 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t 61.08 82.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.8 -64.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -81.98 -58.08 3.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.048 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.8 116.09 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.95 135.88 12.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -171.27 140.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.5 p -67.05 165.33 15.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 1.4 pttp -155.84 174.64 3.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.08 124.58 8.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 14.7 pt -127.88 148.76 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.44 136.04 45.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.6 t -132.83 113.43 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -88.39 133.1 34.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 98.9 mt -68.75 161.08 74.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.99 1.8 7.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -9.82 18.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.69 -32.16 5.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -130.32 147.84 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.85 161.04 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -105.44 132.63 51.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.22 171.67 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.463 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 11.3 mt-10 -126.5 142.76 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -63.77 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.1 m95 49.82 29.92 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -129.14 -67.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.2 m -98.67 153.24 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.22 175.64 2.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -21.55 15.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.4 t80 -71.44 -39.3 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -71.28 -54.78 9.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -40.82 -64.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -41.47 -67.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.09 -42.3 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.49 -60.13 2.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 35' ' ' ALA . 2.8 mp -41.51 -71.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -161.47 143.06 11.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -58.98 116.08 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.97 -29.85 3.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.552 1.158 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.21 -50.45 63.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.85 -41.48 91.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.98 -46.57 78.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -82.64 60.38 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.3 m -137.48 144.42 42.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 1.3 p -118.78 -49.87 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.492 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 5.5 mm -151.67 123.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.01 134.77 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -98.91 149.54 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.557 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 39.1 t -135.79 98.41 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 80.65 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 4.1 t-20 81.56 20.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.09 135.88 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.79 133.71 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.557 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -137.01 148.78 47.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 10.3 m-20 -83.96 153.0 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 mt -79.52 -33.09 42.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.25 -4.97 57.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -104.62 123.5 40.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.22 33.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.561 1.822 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -55.19 171.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -110.56 -37.87 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 13.7 pt-20 -167.64 174.99 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -40.46 114.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.424 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 25.5 p -152.05 178.0 9.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.265 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.3 p -96.32 155.08 16.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.0 tp -123.41 129.91 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -142.88 115.95 8.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.09 132.22 34.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.469 ' CB ' HG13 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -96.45 154.98 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 6.34 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 75' ' ' ASP . 1.8 t80 -170.7 155.99 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.483 ' OE1' ' CG2' ' A' ' 81' ' ' VAL . 10.6 pt-20 -127.85 61.6 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.563 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 2.1 t70 -125.65 84.17 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -149.44 -55.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.13 168.73 19.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.01 176.53 5.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 64.58 156.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 46.68 66.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.483 ' CG2' ' OE1' ' A' ' 74' ' ' GLU . 3.1 p -154.4 -53.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.64 101.51 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.6 p -106.68 -56.38 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.1 179.2 16.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 75.53 3.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.67 -68.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 m 61.98 106.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -134.58 -58.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.54 -58.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.4 116.29 1.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.7 85.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -169.84 134.46 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.43 114.48 2.26 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -100.79 124.28 46.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p -70.08 163.85 25.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 158.7 27.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' ALA . 22.4 pt -103.69 169.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 135.21 54.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.4 ' CG1' HD12 ' A' ' 34' ' ' ILE . 39.4 t -128.2 114.77 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 m -85.35 136.78 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 38' ' ' ILE . 86.0 mt -73.19 161.44 79.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.03 1.9 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 -8.52 16.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.36 -32.12 6.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.97 169.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -132.7 151.07 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.2 t -142.27 163.87 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -103.36 137.14 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.11 176.82 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.453 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 33.4 mt-10 -137.22 125.26 22.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -54.48 122.24 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 65.5 40.05 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 108.055 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 1.5 mttt -145.06 -64.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 79.6 m -96.32 154.7 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p -123.64 173.94 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CB ' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.0 -24.15 13.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.9 t80 -71.06 -35.87 72.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 20.4 mt-30 -73.5 -55.15 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -40.13 -65.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.17 -43.7 21.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -49.47 77.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 108.346 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ILE . . . -42.64 -53.91 5.06 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.534 1.147 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.454 ' CD1' HD22 ' A' ' 16' ' ' LEU . 1.9 mp -40.46 -71.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -166.39 142.39 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.42 110.23 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 144.59 -42.15 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -55.07 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.69 -18.03 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -76.87 -28.77 55.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -108.95 63.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 m -147.08 164.91 31.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.433 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -127.34 -82.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.0 mm -119.98 131.43 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.82 134.3 34.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' NZ ' ' OE1' ' A' ' 74' ' ' GLU . 14.7 mttp -99.78 128.72 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.514 HG23 ' CG ' ' A' ' 56' ' ' TRP . 42.8 t -113.82 98.04 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.1 t-20 78.85 31.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 22.4 m-20 76.59 17.22 1.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.11 136.4 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.9 t -52.47 130.85 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.514 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.8 t-105 -139.4 128.49 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.19 148.52 51.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.5 mt -69.2 -39.63 78.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -84.28 50.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.14 129.4 3.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.56 34.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -60.07 -177.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 56' ' ' TRP . 2.9 mt-10 -116.97 -35.67 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' O ' ' SG ' ' A' ' 66' ' ' CYS . 10.9 pt-20 -171.46 -175.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -48.59 113.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.443 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 6.2 p -152.16 -179.11 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.2 p -104.46 149.58 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 31' ' ' PRO . 16.5 tp -115.28 121.99 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.04 109.67 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 1.4 mm? -83.17 121.13 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -76.61 153.43 35.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -32.41 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -152.62 -44.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 71' ' ' LEU . 5.0 tt0 -40.17 134.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -132.7 60.2 1.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 76.61 -63.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -177.76 -61.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -176.97 155.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 73.31 -60.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.98 88.61 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.4 p -158.45 -57.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.46 94.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.7 m -116.29 -55.72 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.037 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.69 -172.17 35.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.74 105.77 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.66 137.66 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m 56.65 169.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -69.27 145.37 53.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.29 -173.45 40.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m 60.77 112.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -165.7 108.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.07 145.75 9.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -169.42 127.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -68.44 173.54 4.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.46 158.41 8.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 109.14 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 16.3 pt -104.76 172.33 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -124.55 135.88 53.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 41.6 t -128.26 137.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 m -104.54 131.74 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 68.9 mt -69.59 161.28 75.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 3.07 5.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -102.83 -14.02 16.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.3 -31.78 5.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 166.15 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.91 157.67 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.83 176.39 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.35 134.06 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.8 179.24 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -137.13 133.62 35.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -61.07 131.0 49.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.553 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 15.3 m95 59.1 35.69 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.14 -63.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.409 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 42.7 m -102.89 145.21 30.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.402 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.7 OUTLIER -114.77 176.62 1.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -75.0 -28.94 8.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.5 t80 -65.39 -31.8 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' ILE . 30.7 mt-30 -77.87 -57.54 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt -40.3 -51.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -49.74 -60.36 2.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -42.99 -44.34 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.07 -57.29 2.09 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 35' ' ' ALA . 2.9 mp -42.42 -69.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -157.58 125.65 5.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.942 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.28 107.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.53 -48.73 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.48 -58.76 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.84 -61.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -53.35 5.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -91.42 84.93 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.9 m -145.21 147.19 32.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 74' ' ' GLU . 47.9 t -92.84 -74.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mm -150.31 136.48 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.58 139.21 34.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -100.6 146.1 27.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 52' ' ' ASN . 41.5 t -131.55 97.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.1 t-20 82.66 24.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 11.6 t30 82.24 19.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.25 133.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.4 t -45.86 136.08 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.499 ' CG ' HG22 ' A' ' 51' ' ' VAL . 5.2 t-105 -140.71 124.78 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -59.52 142.61 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.9 mt -66.48 -39.18 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -85.67 49.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -154.74 126.85 3.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.79 32.98 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' CD2' ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -62.86 175.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 30.4 mt-10 -110.75 -34.07 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 15.7 pt-20 -171.15 174.08 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -40.64 119.71 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.414 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 29.4 p -152.49 -177.12 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 p -103.68 141.97 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 49.8 tp -108.11 140.65 40.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.27 108.51 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.69 124.76 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 1.2 mp -86.21 140.24 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 42.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER 173.0 141.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -110.79 177.27 4.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.546 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER 172.61 101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 3.5 mt-10 163.08 157.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 1.2 tp10 -90.97 64.54 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 77' ' ' GLU . . . 83.46 -143.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 71.32 -71.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.06 -35.3 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 m -107.57 -166.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -126.35 123.88 39.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 p -112.46 118.78 36.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.959 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.46 -79.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.87 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 m 51.96 81.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.936 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.25 151.18 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -71.09 95.52 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.032 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -165.83 118.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.93 165.11 24.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -65.79 -59.14 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -155.37 157.32 36.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.68 130.9 8.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -64.43 162.36 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -57.12 173.98 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.62 157.77 16.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.22 3.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 15.3 pt -109.02 170.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 132.2 53.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.9 t -122.78 114.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -87.18 124.78 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 33.1 mt -61.5 160.43 25.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.99 2.05 7.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -103.44 -11.21 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.96 -32.13 5.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' CB ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.18 166.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -124.22 154.76 39.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.6 t -142.13 158.58 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -102.86 128.63 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.48 178.79 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.2 mt-10 -137.14 138.67 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -64.65 128.05 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.553 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.7 m95 60.57 39.79 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -143.59 -67.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.47 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 86.4 m -101.2 140.16 35.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -111.39 176.32 1.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.816 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -69.88 -31.94 70.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -87.05 -34.85 19.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 30' ' ' THR . 1.6 mt -59.2 -43.63 90.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.58 -39.62 70.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -43.91 68.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.94 -39.97 19.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mm -51.38 -76.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 m -167.35 129.82 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -43.37 118.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.99 -47.63 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 tt -47.19 -50.98 19.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.28 -63.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -44.48 -48.11 10.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.168 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.59 -49.89 75.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.43 ' CG2' ' HB3' ' A' ' 70' ' ' LEU . 23.1 m -47.08 140.71 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -104.7 -50.02 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.497 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 1.5 mm -152.79 145.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.41 136.88 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -98.59 124.69 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.484 HG22 ' CG ' ' A' ' 56' ' ' TRP . 52.2 t -112.62 102.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 78.23 25.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.4 t-20 80.45 21.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.64 139.01 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.81 129.32 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.484 ' CG ' HG22 ' A' ' 51' ' ' VAL . 6.2 t-105 -133.6 124.99 27.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 107.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -64.77 143.12 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -38.66 91.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 49.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -157.54 124.78 2.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 146.08 32.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -61.38 174.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.553 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 36.5 mt-10 -109.56 -34.95 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 2.7 pt-20 -170.59 179.46 3.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -47.31 116.06 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 4.4 p -151.92 174.65 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 p -95.28 135.51 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -107.99 134.7 50.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -145.58 111.75 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' HB3' ' CG2' ' A' ' 46' ' ' THR . 0.7 OUTLIER -70.63 144.56 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 48' ' ' ILE . 83.8 mt -109.66 154.8 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -103.1 -12.73 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.469 ' CA ' HG11 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -162.7 146.65 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.05 -178.21 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.22 124.14 28.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.72 112.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -145.53 -67.59 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 77' ' ' GLU . . . 86.53 -45.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' ALA . 6.3 mm-40 -37.76 -51.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.29 89.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -150.16 -49.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 8.8 p90 -93.71 127.83 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.73 135.09 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.75 -85.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.29 4.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 t -173.63 -54.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.9 p -148.88 134.09 18.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.55 123.73 16.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -133.87 161.48 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.89 -149.07 19.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.99 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 p -173.54 -59.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.4 83.93 0.64 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -175.27 138.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p -62.32 154.17 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -148.3 158.21 41.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.19 2.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 44.2 pt -106.01 173.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 123.65 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 34' ' ' ILE . 62.8 t -112.11 116.85 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 m -87.23 124.93 33.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 14.2 mt -63.77 161.33 37.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 2.94 6.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.793 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.06 -15.48 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.24 5.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' CB ' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -56.13 163.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -125.57 150.3 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.04 163.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 131.74 46.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.95 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 14.0 mt-10 -136.97 125.61 23.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.7 p -57.76 132.38 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.546 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.5 m95 61.07 30.41 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 4.4 mttm -136.77 -76.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.1 m -76.91 171.77 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -135.76 166.78 25.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.42 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -74.94 -19.76 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.5 t80 -80.93 -32.77 34.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -74.27 -48.85 25.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.471 HD13 ' CG1' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -43.37 -46.49 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -60.33 3.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.6 -40.55 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.0 -60.55 3.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.3 mt -42.68 -64.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -172.07 134.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.59 115.21 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.52 -34.5 2.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.27 -35.94 78.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.11 -11.71 59.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -79.92 -15.6 56.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -118.48 62.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.0 m -146.93 156.57 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.75 -58.28 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.2 mm -146.08 132.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 70' ' ' LEU . . . -90.9 138.14 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -101.48 124.3 46.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' CG ' ' A' ' 56' ' ' TRP . 44.3 t -109.85 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.9 35.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 71.2 24.43 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.08 138.3 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.5 t -52.34 130.46 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.517 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.1 t-105 -140.1 124.95 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.01 145.66 55.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.94 35.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -141.99 133.68 13.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.72 32.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -62.14 179.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 10.3 mt-10 -114.13 -37.46 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 7.4 pt-20 -177.23 -176.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -41.53 112.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.428 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 22.8 p -151.96 -175.2 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 p -111.18 147.41 35.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD12 ' CB ' ' A' ' 31' ' ' PRO . 38.3 tp -110.92 138.74 46.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -151.39 108.35 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -79.2 131.28 36.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -84.84 153.12 23.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.58 -30.84 20.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.423 ' N ' HG21 ' A' ' 47' ' ' VAL . 6.2 t80 -163.72 155.16 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -144.93 161.68 38.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 76' ' ' GLU . 3.4 t0 -158.38 98.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER 175.45 86.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 62.01 155.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' GLN . . . -93.97 -73.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ALA . 13.5 pt20 38.53 80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.253 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 40.9 73.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 2.4 p -98.32 6.47 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -164.25 173.13 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -97.11 -54.39 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.18 169.3 18.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 67.14 6.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.57 -91.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -113.11 128.08 56.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 t -93.51 106.59 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.69 86.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.14 123.31 7.83 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -88.66 159.6 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 m -94.62 -61.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.44 131.06 3.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -170.2 160.49 7.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.4 t -100.31 141.73 32.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.87 173.76 5.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 17.4 pt -113.0 163.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 122.01 41.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.38 113.19 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.5 m -87.63 124.77 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 5.0 mt -64.43 162.03 37.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 3.08 5.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.6 -17.37 17.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.05 -32.15 5.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 170.1 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -126.62 159.18 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -141.25 165.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -104.66 122.82 46.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -137.92 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' CA ' HG12 ' A' ' 12' ' ' ILE . 26.6 mt-10 -136.83 139.3 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 9' ' ' SER . 16.0 p -60.16 128.87 38.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 19.0 m95 60.29 36.02 20.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 4.2 mttm -134.26 -73.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.3 m -86.78 168.78 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.17 167.33 22.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.02 17.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -80.77 -33.06 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -74.08 -47.88 33.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -43.8 -54.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 38' ' ' ILE . . . -60.42 -60.88 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.47 -58.14 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.28 -37.86 3.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ALA . 54.9 mt -76.5 -58.47 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -145.68 133.91 21.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.84 109.09 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . 152.67 -73.72 0.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 pp -42.01 -40.49 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.82 -49.87 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' GLY . 4.8 t0 -50.12 -41.52 48.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -102.41 82.37 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 70' ' ' LEU . 1.2 m -158.94 104.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -39.84 -89.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.71 151.33 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -96.47 145.03 26.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -98.63 130.08 45.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.553 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 37.1 t -117.42 107.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.8 t-20 75.67 22.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.9 t-20 82.54 20.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -131.38 138.56 52.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.2 t -46.87 136.82 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 3.9 t-105 -145.94 127.48 15.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -66.35 143.08 57.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -70.27 -13.26 62.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.82 -30.36 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -77.59 126.29 84.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.01 33.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -52.56 175.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.4 mt-10 -117.29 -37.71 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 1.9 pt-20 -173.5 -178.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -40.81 109.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.425 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 24.8 p -152.17 -176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -102.13 172.17 7.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.397 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 13.0 tp -138.55 125.65 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -144.16 111.26 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 1.1 mm? -82.23 126.94 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.61 154.13 26.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -92.63 -24.02 18.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.502 ' CE1' ' O ' ' A' ' 74' ' ' GLU . 6.4 t80 166.38 140.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -100.45 167.21 10.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -151.83 76.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -144.81 -60.23 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -139.15 -178.52 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.25 -178.39 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 61.95 120.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.98 49.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.97 -61.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -129.61 120.06 24.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.9 p -83.46 169.61 15.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.4 -141.51 3.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.66 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.3 t -169.73 99.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -93.47 114.89 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 p -94.43 120.53 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.32 99.5 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.94 155.7 24.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.96 119.98 16.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -82.19 101.17 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 156.08 26.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -169.25 133.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t -78.72 140.0 38.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -139.52 159.02 67.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 110.32 3.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' ALA . 22.4 pt -105.62 170.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 121.68 39.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.5 t -115.33 121.42 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.2 m -93.54 133.54 36.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 88.0 mt -71.12 161.81 76.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 2.93 6.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -103.53 -14.5 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 -31.99 5.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 168.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.743 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -131.1 149.63 52.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 t -137.85 158.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -101.32 124.43 47.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -133.73 179.14 6.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -134.9 133.72 39.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -63.44 120.94 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 7.6 m95 72.74 36.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.24 -61.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.9 m -99.39 148.09 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.64 174.58 2.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 18.1 Cg_endo -74.97 -21.3 16.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -73.77 -31.27 63.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -78.62 -53.7 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -42.8 -60.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.31 74.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -20.38 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.5 34.42 5.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.44 ' CG2' HD12 ' A' ' 42' ' ' LEU . 19.5 mm -122.84 -74.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -160.66 138.53 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.75 108.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.38 -22.85 4.37 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.44 HD12 ' CG2' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -68.6 -70.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.79 -31.07 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -46.93 88.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -87.61 52.38 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 70' ' ' LEU . 85.9 m -128.62 130.15 46.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 0.5 OUTLIER -98.84 -50.31 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.507 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 20.7 mm -148.35 143.05 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -104.15 131.85 51.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -98.36 138.03 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.515 HG22 ' CG ' ' A' ' 56' ' ' TRP . 37.7 t -125.23 100.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.2 t-20 76.35 25.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 34.8 t30 81.88 19.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.88 128.49 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -44.67 134.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.515 ' CG ' HG22 ' A' ' 51' ' ' VAL . 6.1 t-105 -140.54 134.03 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.21 143.68 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -87.89 45.51 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -155.3 130.47 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -58.44 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 11.6 mt-10 -116.03 -34.39 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 16.2 pt-20 -178.29 179.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -40.09 109.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.438 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 23.5 p -152.2 170.79 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 p -93.42 149.66 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 31' ' ' PRO . 30.7 tp -116.23 131.94 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.73 122.88 12.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' A' ' 46' ' ' THR . 0.8 OUTLIER -86.88 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.492 ' CB ' HG13 ' A' ' 47' ' ' VAL . 2.6 mp -99.59 154.93 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -22.18 15.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' CA ' HG12 ' A' ' 47' ' ' VAL . 35.1 t80 -175.09 134.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.55 48.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.21 104.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.97 108.75 21.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -148.0 -54.5 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 179.62 -171.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 67.63 -75.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.51 91.22 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.7 m -130.5 -55.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -146.94 176.36 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -84.37 104.4 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -154.76 -155.32 7.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.38 4.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 p -171.87 128.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.7 m 56.64 98.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.97 160.1 35.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -136.31 -58.48 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.21 -173.11 34.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 p -112.84 141.58 46.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -164.78 99.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.84 101.97 0.53 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.21 156.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 t -91.11 162.04 14.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 157.94 64.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.433 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 18.2 Cg_endo -75.05 111.66 3.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 12.3 pt -109.54 164.68 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.48 125.91 54.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' HD12 ' A' ' 34' ' ' ILE . 53.5 t -117.82 111.85 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -85.12 128.49 34.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 20.5 mt -66.43 161.09 61.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 3.17 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -102.93 -14.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.61 -32.24 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CB ' HD11 ' A' ' 16' ' ' LEU . 1.3 mmmt -56.3 165.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.76 153.03 44.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.36 161.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.38 128.46 45.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -135.61 174.55 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 11' ' ' PRO . 1.5 mm-40 -134.44 137.04 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.5 p -64.69 130.9 45.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 59.53 34.1 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 107.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -138.58 -62.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.8 m -99.08 158.15 15.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.427 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 1.7 p -127.86 172.77 6.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CB ' HD11 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -74.94 -19.23 18.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.9 t80 -75.05 -34.38 61.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -76.5 -47.87 21.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.451 HD12 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mt -49.86 -62.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -47.5 -46.76 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.8 t -57.23 -52.8 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.28 -60.91 1.06 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 35' ' ' ALA . 3.7 mp -40.21 -66.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -157.57 123.0 4.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -51.72 116.02 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.26 -50.5 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.09 -54.8 18.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.18 -52.02 65.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -29.6 24.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -117.27 73.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.0 m -139.38 115.95 10.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 74' ' ' GLU . 3.9 t -61.85 -73.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.8 mm -143.84 135.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.11 132.35 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -99.45 132.14 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.535 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 39.9 t -117.59 102.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.1 28.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.3 t30 77.74 21.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.12 134.62 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -47.54 134.34 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -139.97 145.9 38.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 4.9 m-20 -80.11 151.32 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -76.17 -28.79 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.19 -31.41 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 12.2 ttt85 -76.7 123.24 87.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -50.41 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.7 mt-10 -115.48 -39.06 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 13.0 pt-20 -169.26 -177.51 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -43.59 110.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 9.7 p -152.18 173.47 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 p -100.21 144.86 28.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD11 ' CB ' ' A' ' 31' ' ' PRO . 26.1 tp -108.35 132.24 53.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.99 120.15 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 1.2 mm? -90.53 120.93 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.5 mt -85.45 154.21 21.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.73 22.19 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 74' ' ' GLU . 7.9 t80 177.58 151.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 3.8 mt-10 -64.65 118.89 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -108.53 -6.92 15.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 176.82 68.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.26 140.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.48 -56.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.75 123.2 25.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 61.44 105.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -165.6 -50.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -54.32 -54.26 42.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.4 -58.0 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.23 -145.01 17.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 132.71 15.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.2 t -81.86 126.38 31.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.1 p -124.37 142.48 51.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -108.45 -59.0 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m 63.35 83.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 110.065 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.24 137.56 13.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -77.6 -62.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.037 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.39 -58.64 7.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.98 169.14 25.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.55 137.18 41.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p -75.51 177.98 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 158.09 21.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ALA . 27.6 pt -108.62 168.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 129.39 54.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG1' HD12 ' A' ' 34' ' ' ILE . 46.1 t -121.0 112.94 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -85.59 130.33 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 74.3 mt -66.82 160.84 66.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -104.3 -12.01 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.36 -32.14 5.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' CB ' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -53.2 162.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 0.803 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -122.11 147.5 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 23' ' ' ASP . 62.0 t -131.59 166.55 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 22' ' ' VAL . 1.7 m-20 -117.08 123.3 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -139.78 179.31 6.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 20.6 mt-10 -132.15 142.71 49.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 p -61.39 137.1 58.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 21.1 m95 56.66 21.55 5.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 3.0 mttm -120.44 -78.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.425 ' HB ' ' CB ' ' A' ' 24' ' ' ALA . 98.3 m -81.03 162.09 23.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.81 168.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.3 Cg_endo -74.99 -20.19 17.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.8 t80 -79.7 -35.11 39.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ILE . 11.1 mt-30 -71.41 -51.28 24.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' CG1' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -40.3 -66.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -41.68 -64.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.07 -43.67 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 108.284 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.16 -59.54 5.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 35' ' ' ALA . 2.9 mp -41.47 -73.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 t -163.25 142.01 8.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 107.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.11 -35.82 1.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.06 -50.67 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.65 72.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.84 -31.39 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -106.2 65.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 m -139.81 138.72 36.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 0.5 OUTLIER -114.5 -49.61 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 15.0 mm -149.9 130.56 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -94.15 133.32 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -98.72 132.54 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG21 ' CG ' ' A' ' 56' ' ' TRP . 50.0 t -120.16 97.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 79.18 35.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.08 23.21 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.45 132.54 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -47.81 132.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CG ' HG21 ' A' ' 51' ' ' VAL . 6.6 t-105 -136.1 150.66 49.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 36.9 m-20 -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -82.85 -18.99 38.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.45 -18.1 22.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 21.6 ttt180 -90.3 127.54 52.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.96 33.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -54.98 173.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -113.19 -38.7 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.14 -177.29 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.7 113.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 6.9 p -152.09 -176.88 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.3 p -98.34 170.4 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.7 tp -141.16 124.19 16.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -139.82 109.45 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.5 125.48 29.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CB ' HG13 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -89.55 154.22 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.32 -30.65 15.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.467 ' CA ' HG12 ' A' ' 47' ' ' VAL . 46.1 t80 -174.18 134.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.4 163.09 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -172.24 94.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -179.3 -76.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -110.27 -57.97 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 77' ' ' GLU . . . 82.01 -58.85 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 65.26 -74.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -133.69 74.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.0 t -127.63 -70.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.649 ' CD1' ' N ' ' A' ' 83' ' ' SER . 22.7 p90 -49.83 -38.44 34.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.649 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 2.7 m 48.19 94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.63 111.5 4.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.9 m 63.67 146.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.05 84.93 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -90.03 127.11 35.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -114.47 -58.19 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.18 94.82 1.89 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.435 1.084 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -156.73 -59.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.984 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -131.07 153.77 48.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.7 120.01 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -45.27 159.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p -61.8 175.88 0.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.945 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -164.71 158.7 15.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.28 2.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 26.5 pt -105.55 156.79 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -110.29 136.34 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.3 t -131.25 116.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m -90.85 125.03 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 36.4 mt -60.1 160.09 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.0 1.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -103.22 -11.6 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.7 -32.2 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' CB ' HD11 ' A' ' 16' ' ' LEU . 5.9 mtmm -54.74 164.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 0.779 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' NE2' ' HE2' ' A' ' 13' ' ' LYS . 75.1 mt-30 -121.39 154.56 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.6 t -143.31 161.07 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.44 133.1 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -137.63 171.08 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 34.8 mt-10 -134.11 131.52 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -57.3 134.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.9 m95 51.24 40.58 26.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 9.0 mmmt -142.16 -74.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -94.29 153.86 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.465 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -122.4 179.72 0.94 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.03 -30.4 7.17 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.514 1.797 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.524 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -66.09 -47.33 74.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -71.61 -25.79 62.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 68' ' ' LEU . 12.3 mt -63.42 -60.04 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -49.32 -58.19 5.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . 11.9 t -41.95 -42.49 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.66 -59.01 3.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.12 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 35' ' ' ALA . 2.7 mp -44.13 -75.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.2 t -154.27 133.23 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.26 113.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.34 -50.09 0.6 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.24 -51.37 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.71 -49.52 67.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -45.77 -53.22 9.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -91.54 80.37 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.2 m -148.3 126.78 12.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 73' ' ' PHE . 36.5 t -86.9 -73.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LEU . 6.4 mm -141.91 137.03 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 70' ' ' LEU . . . -97.79 137.56 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -98.9 138.57 35.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.508 HG23 ' CG ' ' A' ' 56' ' ' TRP . 45.7 t -123.97 97.95 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.5 t-20 80.12 30.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 76.25 20.88 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.69 130.08 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG12 ' CG2' ' A' ' 48' ' ' ILE . 28.6 t -44.64 138.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.508 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.8 t-105 -141.81 133.02 26.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -71.35 139.29 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.2 mt -65.44 -31.73 72.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -89.11 46.04 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -157.3 129.69 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.43 32.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -57.79 -177.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -117.71 -36.38 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 1.1 pt-20 -172.78 175.68 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.01 115.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.43 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 24.7 p -152.07 -176.17 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 p -107.69 143.35 36.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 34' ' ' ILE . 62.3 tp -107.96 137.93 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -153.68 106.86 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -74.88 138.49 42.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ILE . 1.6 mp -97.23 147.95 23.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -102.62 18.41 21.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 74' ' ' GLU . 5.0 t80 -178.88 144.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 2.2 mt-10 -75.63 148.67 38.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.91 111.97 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.21 104.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -144.16 172.82 12.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.91 68.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -154.43 -58.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.53 97.8 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.8 p -146.73 114.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.24 137.35 8.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.4 p -172.78 120.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.26 117.49 4.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 98.32 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.71 126.13 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.5 t -80.94 143.73 32.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.17 123.76 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 p -136.69 169.35 17.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.28 -116.98 0.5 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.054 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.94 119.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.794 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p 176.98 150.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.38 77.73 0.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -178.42 139.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 p -66.63 158.67 29.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.19 157.96 31.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 109.97 3.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 11.3 pt -108.13 169.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.32 133.89 55.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 44.7 t -126.31 117.39 48.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -86.59 138.39 31.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 68.7 mt -74.48 161.41 78.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.05 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -108.9 -3.78 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.64 -32.08 6.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.21 167.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -134.12 151.79 51.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.5 t -144.56 161.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.83 131.62 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.28 179.06 6.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 38.2 mt-10 -137.22 135.98 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 p -65.52 125.87 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 64.24 34.59 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -140.28 -63.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.5 m -98.88 150.05 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 110.391 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.93 174.96 2.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -26.8 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.7 t80 -69.3 -37.36 77.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 mt-30 -71.68 -54.02 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -40.27 -65.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.18 -49.44 9.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.13 -61.14 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.51 -55.14 2.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 mp -45.99 -65.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -147.21 136.04 22.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.16 109.06 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.76 -34.0 2.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tt -54.28 -41.81 69.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.03 -64.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -42.01 -41.44 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -90.44 64.31 5.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.4 m -137.55 137.81 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.4 t -93.48 -64.92 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.6 mm -149.45 137.49 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -103.62 136.63 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -99.28 136.55 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.529 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 45.7 t -123.47 98.8 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.3 t-20 81.83 24.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.9 t-20 81.72 19.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.1 134.09 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 t -46.32 137.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.8 t-105 -142.8 128.57 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.2 147.17 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.2 mt -71.09 -36.47 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.91 47.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -155.27 129.68 4.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.251 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.58 35.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -60.76 178.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 6.6 mt-10 -111.2 -34.92 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 pt-20 -177.9 -179.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.81 112.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.427 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 23.5 p -152.14 179.18 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.0 p -103.29 144.82 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' HB2' ' CG1' ' A' ' 14' ' ' VAL . 62.0 tp -110.6 136.16 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -150.16 116.57 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 129.14 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.54 153.84 20.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -110.95 125.52 53.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.511 ' C ' ' O ' ' A' ' 72' ' ' LYS . 6.7 m-85 28.13 55.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -35.51 149.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.66 100.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.74 -62.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 2.6 tt0 -128.32 -44.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 77' ' ' GLU . . . 78.13 -58.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 62.96 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -124.77 113.32 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.3 p -159.73 162.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -52.15 140.76 20.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.82 79.87 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.71 -73.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.48 5.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.81 142.28 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.8 t -162.67 143.9 10.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.54 113.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m 62.62 168.96 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.85 -109.03 2.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.09 -58.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.84 143.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.06 173.8 20.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 63.79 105.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p -71.44 -177.83 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.02 158.53 12.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.412 ' CA ' ' OE2' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.97 110.61 3.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 42.8 pt -106.89 171.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.89 135.08 49.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -128.88 119.38 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.7 m -88.44 124.93 34.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD1' ' HD3' ' A' ' 20' ' ' LYS . 10.0 mt -63.8 161.2 39.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.0 2.88 6.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -101.32 -15.64 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.84 -31.44 5.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD3' ' CD1' ' A' ' 16' ' ' LEU . 23.0 tttt -60.75 154.93 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -108.99 152.5 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HD13 ' A' ' 16' ' ' LEU . 86.2 t -131.84 165.94 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 22.6 m-20 -114.65 126.61 55.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.88 178.27 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.6 mm-40 -134.94 141.89 46.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -62.02 130.36 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 58.0 41.33 24.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -142.36 -71.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.5 m -97.42 152.5 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -121.48 -179.8 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.98 -28.78 8.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 3.3 t80 -66.88 -51.22 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.41 -30.83 70.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.443 HG21 ' CD2' ' A' ' 68' ' ' LEU . 6.6 mt -56.72 -43.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.2 -44.98 43.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -43.71 -46.02 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.315 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.69 -45.78 12.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 39' ' ' SER . 56.4 mt -68.81 166.73 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.425 ' N ' ' CG2' ' A' ' 38' ' ' ILE . 70.6 m -41.47 137.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.59 125.04 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.21 -17.14 6.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -38.46 69.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.96 -45.28 15.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -48.1 -31.62 5.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -96.35 46.06 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.426 HG22 ' CG ' ' A' ' 70' ' ' LEU . 7.4 m -127.12 135.22 50.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -110.75 -48.94 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.483 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 14.4 mm -151.17 131.93 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -96.23 131.49 42.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -99.13 128.4 45.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 56' ' ' TRP . 48.0 t -115.16 99.98 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.11 34.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.46 21.79 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.358 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -131.24 133.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.2 t -47.44 136.94 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.515 ' CG ' HG21 ' A' ' 51' ' ' VAL . 5.5 t-105 -143.09 133.35 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -70.26 145.07 51.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.0 mt -70.29 -31.09 68.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -90.36 39.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -148.65 128.09 6.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.9 33.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.416 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.52 -178.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -115.32 -33.35 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 11.0 pt-20 -175.31 177.75 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -41.16 113.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.432 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 25.4 p -151.83 179.68 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 p -100.34 155.03 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' CD2' HG21 ' A' ' 34' ' ' ILE . 45.5 tp -124.87 133.77 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -144.02 110.99 5.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.426 ' CG ' HG22 ' A' ' 46' ' ' THR . 0.6 OUTLIER -76.41 124.49 27.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CB ' HG13 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -88.36 154.28 20.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -91.78 -33.81 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.469 ' CA ' HG12 ' A' ' 47' ' ' VAL . 85.6 t80 -170.27 126.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.71 158.41 43.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.31 82.09 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -147.83 135.73 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.46 163.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.63 -47.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -90.97 31.94 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -172.01 44.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 m -110.99 -33.48 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 39.14 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -54.81 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -152.66 168.49 31.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.67 10.13 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.8 t -78.19 -47.31 18.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.0 m 53.94 99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -85.43 150.17 24.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 m -117.73 165.35 13.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.15 172.56 21.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.61 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -81.29 140.02 35.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.53 -74.22 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.96 105.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 2.6 t 52.88 176.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -169.07 157.64 7.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 15.6 pt -111.24 167.24 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -115.81 137.43 52.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 60.4 t -131.6 119.81 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -91.33 144.97 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 20' ' ' LYS . 39.4 mt -80.59 162.38 60.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.96 1.43 7.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.41 -13.26 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 -32.02 5.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.26 159.12 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -123.15 151.59 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 t -141.62 160.57 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.26 132.38 46.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -138.55 177.84 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 28' ' ' LYS . 2.1 mp0 -137.14 135.52 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 p -59.57 135.29 57.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CZ2' ' OE2' ' A' ' 63' ' ' GLU . 8.5 m95 51.88 37.65 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -139.15 -64.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.6 m -99.4 155.54 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.442 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 2.0 p -125.2 173.32 5.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' CB ' HD11 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.01 -19.95 17.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.811 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.0 t80 -74.16 -36.11 64.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ILE . 8.1 mt-30 -74.27 -54.15 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -40.62 -63.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.36 -47.51 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -54.84 35.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.71 -53.81 1.87 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -44.51 -75.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.426 0.721 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.2 132.87 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -56.28 112.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.86 -39.3 1.58 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -52.63 54.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.2 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -71.05 -36.99 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.64 68.54 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m -128.97 148.73 50.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 74' ' ' GLU . 5.0 t -116.3 -70.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mm -144.33 124.61 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.02 133.31 35.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' NZ ' HD23 ' A' ' 71' ' ' LEU . 13.5 mttp -98.79 132.95 43.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.573 ' HB ' ' CE3' ' A' ' 56' ' ' TRP . 53.5 t -120.02 100.31 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 80.01 29.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.6 t30 75.7 22.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.27 135.89 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.14 131.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.573 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.9 t-105 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 70.2 m-20 -85.72 151.2 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 2.1 mt -76.39 -27.58 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.83 -22.25 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 2.1 ttt180 -86.33 124.43 69.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 147.31 33.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -52.75 175.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' OE2' ' CZ2' ' A' ' 27' ' ' TRP . 3.2 mt-10 -113.83 -39.3 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 12.3 pt-20 -173.11 -178.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' GLU . 2.8 p-10 -40.23 110.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 24.7 p -152.11 177.49 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 p -102.3 145.09 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 31' ' ' PRO . 30.3 tp -113.34 139.14 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -150.3 125.05 9.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.5 118.04 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 HD23 ' NZ ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -76.57 153.88 34.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -109.13 116.06 31.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.468 ' O ' ' O ' ' A' ' 72' ' ' LYS . 1.7 t80 56.94 123.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 47' ' ' VAL . 46.5 mt-10 -41.45 158.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -151.98 95.67 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 50.72 81.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -158.97 157.5 31.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.18 -60.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -58.05 -58.59 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.52 73.87 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 82' ' ' TYR . 7.8 p -116.74 -48.95 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.409 ' N ' HG11 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -151.12 -49.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 m 62.02 162.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.6 -171.28 23.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.76 42.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.1 t -57.12 109.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -142.77 139.93 31.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p 42.11 85.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -151.39 -58.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.4 -146.17 17.16 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.61 130.22 12.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -163.05 140.3 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.01 134.07 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.66 166.19 11.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p -53.14 167.15 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -164.08 163.81 15.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 112.55 3.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 26.2 pt -106.59 162.45 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -113.17 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.76 114.6 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 m -89.52 128.84 36.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 46.9 mt -64.18 160.19 50.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HG3' ' CD2' ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.05 1.58 7.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.541 1.811 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.53 -5.63 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.98 -32.04 6.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.6 166.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.85 152.08 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.5 t -141.24 163.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -104.61 131.44 52.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.85 175.74 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 34.0 mt-10 -137.27 133.03 34.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 p -58.33 128.98 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.4 m95 58.48 41.17 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -143.06 -65.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.7 m -98.8 154.55 17.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.13 173.89 4.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.94 -21.56 15.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.0 t80 -73.83 -33.82 64.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ILE . 26.9 mt-30 -77.21 -53.15 8.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -40.02 -46.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.8 -53.69 36.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.1 -45.66 52.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.7 -60.46 1.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mt -40.47 -62.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.2 147.74 25.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.83 122.79 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.64 -35.44 4.31 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 tt -50.63 -34.39 25.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.64 78.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -53.48 -37.54 62.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -165.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 70' ' ' LEU . 73.8 m 64.16 171.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -128.32 -50.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.508 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 20.8 mm -149.15 129.07 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . . . -92.08 131.41 37.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 53' ' ' ASN . 16.3 mttm -98.95 142.27 30.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 ' CG ' ' A' ' 56' ' ' TRP . 54.8 t -128.35 99.25 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 80.72 29.67 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.6 OUTLIER 76.63 20.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -130.53 132.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.6 t -46.8 134.5 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.513 ' CG ' HG23 ' A' ' 51' ' ' VAL . 5.7 t-105 -139.92 124.99 18.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.49 142.77 58.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.411 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -64.29 -40.18 95.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -83.98 51.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.54 127.78 3.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.12 33.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -58.62 -177.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 57.4 mt-10 -117.77 -35.73 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 5.7 pt-20 -175.94 -179.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -40.8 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.441 ' SG ' ' CG1' ' A' ' 51' ' ' VAL . 9.1 p -152.18 174.28 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 p -94.99 161.29 14.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 tp -127.18 128.39 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -139.63 121.57 15.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -89.09 129.16 35.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' CB ' HG11 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -95.58 154.34 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.82 -28.42 14.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.48 ' CA ' HG13 ' A' ' 47' ' ' VAL . 61.4 t80 -174.01 134.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.52 177.73 4.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.29 88.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.2 -59.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -129.3 171.64 12.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.338 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -124.68 80.91 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -162.85 -59.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.39 90.11 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.46 145.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 47.82 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.61 115.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.43 179.53 53.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.44 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.6 p -53.25 118.23 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.35 144.29 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 158.19 18.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 110.12 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.778 HG21 ' HA ' ' A' ' 64' ' ' GLU . 19.0 pt -106.39 173.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 135.28 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.446 HG11 HD12 ' A' ' 34' ' ' ILE . 44.6 t -125.26 117.38 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -89.17 126.89 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.004 HD12 ' HB3' ' A' ' 20' ' ' LYS . 79.3 mt -62.82 160.33 37.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.79 7.36 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -105.18 -9.54 17.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.4 -32.09 5.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.546 1.153 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 1.004 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.97 160.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -123.56 148.51 46.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 23' ' ' ASP . 6.5 t -139.08 166.6 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -106.59 134.49 49.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.61 179.34 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -136.76 137.34 39.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -63.09 129.93 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 10.2 m95 56.13 38.14 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -141.0 -56.94 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.708 ' O ' HD22 ' A' ' 62' ' ' LEU . 89.1 m -106.87 152.88 23.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -123.25 174.36 3.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.643 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.97 -20.49 16.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.1 t80 -73.68 -36.04 65.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -74.69 -51.43 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.446 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.563 HG21 HG13 ' A' ' 55' ' ' VAL . 12.1 mm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.78 136.23 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -98.99 125.64 44.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.829 HG13 ' SG ' ' A' ' 66' ' ' CYS . 54.5 t -112.36 100.58 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 79.85 29.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 75.62 23.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -130.84 139.19 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG13 HG21 ' A' ' 48' ' ' ILE . 37.2 t -52.38 129.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -134.09 147.85 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 2.8 m-20 -85.28 144.41 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -70.74 -29.23 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.47 -15.13 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.8 ttt85 -93.72 125.16 54.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.31 33.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.45 177.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.3 mt-10 -116.42 -36.31 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.778 ' HA ' HG21 ' A' ' 12' ' ' ILE . 14.6 pt-20 -175.44 -177.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -40.48 110.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.829 ' SG ' HG13 ' A' ' 51' ' ' VAL . 10.4 p -152.08 178.41 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -106.67 143.94 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 31' ' ' PRO . 21.8 tp -108.02 136.63 47.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' H ' HD12 ' A' ' 68' ' ' LEU . 13.1 tt0 -146.25 113.0 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.26 134.14 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 8.7 pttt -165.17 157.74 13.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.829 HG21 ' HA ' ' A' ' 64' ' ' GLU . 14.2 pt -104.1 166.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.1 136.0 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -129.84 115.61 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 20' ' ' LYS . 2.9 m -87.13 137.77 32.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.981 HD12 ' HB3' ' A' ' 20' ' ' LYS . 40.0 mt -72.97 161.17 80.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.94 1.41 7.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -103.8 -7.37 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.93 21.34 12.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.981 ' HB3' HD12 ' A' ' 16' ' ' LEU . 1.5 mttt -99.42 167.89 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.12 146.69 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.3 t -142.16 157.78 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -103.77 128.95 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -139.89 178.06 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.2 mt-10 -137.39 134.45 35.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -59.85 130.14 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 59.14 34.97 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 11.0 mttm -138.23 -67.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.776 ' O ' HD22 ' A' ' 62' ' ' LEU . 75.3 m -96.52 153.22 17.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.24 175.1 2.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.49 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.01 -29.41 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.799 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 9.8 t80 -66.56 -32.39 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ILE . 29.2 mt-30 -77.07 -55.94 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.618 HG21 HG13 ' A' ' 55' ' ' VAL . 6.2 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -91.1 135.74 33.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.1 mttp -99.3 126.34 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.833 HG13 ' SG ' ' A' ' 66' ' ' CYS . 55.0 t -112.23 100.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.2 t-20 80.01 32.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.57 22.71 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.16 141.77 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.618 HG13 HG21 ' A' ' 48' ' ' ILE . 30.0 t -54.39 133.34 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.7 t-105 -140.06 124.89 18.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.16 143.18 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 4.5 mt -67.37 -37.32 82.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -86.52 49.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -155.84 128.69 4.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.07 33.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.89 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.0 mt-10 -118.27 -37.29 3.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.829 ' HA ' HG21 ' A' ' 12' ' ' ILE . 7.2 pt-20 -170.11 178.27 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.08 114.62 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.833 ' SG ' HG13 ' A' ' 51' ' ' VAL . 5.9 p -151.95 179.36 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 p -104.99 145.42 30.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' A' ' 31' ' ' PRO . 22.7 tp -109.02 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -142.64 108.35 5.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.93 130.36 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -155.17 175.41 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -75.06 117.96 5.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.613 HG21 ' HA ' ' A' ' 64' ' ' GLU . 18.5 pt -119.41 156.57 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -110.23 137.58 47.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG11 HD12 ' A' ' 34' ' ' ILE . 14.9 t -133.09 118.75 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 20' ' ' LYS . 8.1 m -88.88 147.2 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 20' ' ' LYS . 35.7 mt -83.74 162.68 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.49 7.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -106.57 -12.76 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.65 -31.72 5.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.662 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -48.88 167.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.47 136.95 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 23' ' ' ASP . 18.0 t -128.72 164.14 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -105.42 136.99 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -141.19 176.62 8.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.4 mt-10 -132.15 134.92 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 9' ' ' SER . 11.0 p -57.62 130.7 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.453 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 11.7 m95 54.19 40.32 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -139.66 -63.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.764 ' O ' HD22 ' A' ' 62' ' ' LEU . 95.2 m -101.73 150.91 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.401 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.09 175.77 2.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.631 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.06 -20.04 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -73.0 -41.82 63.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ILE . 25.1 mt-30 -69.25 -53.87 17.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 HG11 ' A' ' 14' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.561 HG22 HD22 ' A' ' 71' ' ' LEU . 6.9 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -98.27 132.79 43.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 17.3 mttp -98.76 143.81 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.824 HG13 ' SG ' ' A' ' 66' ' ' CYS . 55.8 t -131.53 98.05 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.9 t-20 83.14 23.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.2 t30 82.03 20.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.53 133.67 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -45.5 132.96 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.51 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.93 148.93 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 107.98 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 39.0 m-20 -83.66 157.8 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -83.01 -29.64 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.42 -15.8 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -93.16 123.17 61.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 147.31 34.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.95 173.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 3.0 mt-10 -110.53 -38.21 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HA ' HG21 ' A' ' 12' ' ' ILE . 2.6 pt-20 -171.43 -167.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -50.43 109.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.824 ' SG ' HG13 ' A' ' 51' ' ' VAL . 8.2 p -151.93 -179.46 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 108.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 p -98.25 172.9 7.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.44 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 31' ' ' PRO . 28.4 tp -142.41 125.4 16.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -139.28 120.62 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.54 131.72 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD22 HG22 ' A' ' 48' ' ' ILE . 1.2 mp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 6.5 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -163.04 157.79 17.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.736 HG21 ' HA ' ' A' ' 64' ' ' GLU . 44.6 pt -105.04 167.08 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.26 131.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.673 HG11 HD12 ' A' ' 34' ' ' ILE . 40.5 t -125.27 122.57 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -94.62 130.11 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 20' ' ' LYS . 90.3 mt -66.14 160.78 61.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 1.84 7.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -103.42 -13.07 16.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.86 -32.1 5.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.84 160.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 t -140.88 164.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 132.65 50.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -135.65 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -135.42 134.22 39.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 p -59.13 132.66 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 54.02 35.75 22.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 14.0 mttm -135.49 -60.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' HD22 ' A' ' 62' ' ' LEU . 85.3 m -103.58 154.79 19.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.74 174.28 3.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.594 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -74.21 -37.09 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ILE . 15.9 mt-30 -73.42 -54.17 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.673 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' CG2' HG13 ' A' ' 55' ' ' VAL . 10.2 mm . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.15 136.08 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -98.91 144.08 28.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG13 ' SG ' ' A' ' 66' ' ' CYS . 49.4 t -129.79 97.93 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 81.29 24.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER 82.22 18.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.78 133.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 48' ' ' ILE . 53.7 t -47.0 135.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.0 155.17 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 7.9 m-20 -89.46 150.68 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.421 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -79.81 -28.26 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.14 -2.23 58.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.451 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 43.4 ttt85 -109.8 125.76 30.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.28 33.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.32 174.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 12.1 mt-10 -113.19 -38.88 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.736 ' HA ' HG21 ' A' ' 12' ' ' ILE . 3.4 pt-20 -165.96 172.71 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -40.47 113.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.87 ' SG ' HG13 ' A' ' 51' ' ' VAL . 5.9 p -151.34 175.1 12.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -94.8 144.3 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 31' ' ' PRO . 42.7 tp -111.74 133.01 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.55 126.66 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 70' ' ' LEU . 1.1 mm? -96.5 119.75 35.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' SER . 13.7 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -154.47 174.55 3.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG21 ' HA ' ' A' ' 64' ' ' GLU . 14.5 pt -117.34 153.1 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -109.62 129.22 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -123.9 111.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -85.68 124.61 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.542 HD21 HG21 ' A' ' 22' ' ' VAL . 10.1 mt -63.69 161.12 38.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.93 3.09 5.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -103.49 -9.26 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.55 -32.2 6.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.1 154.29 16.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -111.12 157.37 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.542 HG21 HD21 ' A' ' 16' ' ' LEU . 13.8 t -142.25 160.42 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.71 123.96 48.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.59 172.25 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.473 ' CA ' HG12 ' A' ' 12' ' ' ILE . 16.1 mt-10 -131.12 136.63 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 9' ' ' SER . 39.9 p -57.43 142.79 42.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CZ2' ' CD ' ' A' ' 63' ' ' GLU . 9.6 m95 42.2 45.28 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.984 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -144.03 -65.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.856 ' O ' HD22 ' A' ' 62' ' ' LEU . 99.9 m -101.62 148.29 25.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.85 174.65 2.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -19.93 17.29 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.85 -33.69 64.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 25.5 mt-30 -77.73 -53.47 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.572 HG21 HG13 ' A' ' 55' ' ' VAL . 19.2 mm . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.07 136.35 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 16.4 mttp -98.93 142.32 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.832 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.5 t -129.92 99.2 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 3.5 t-20 82.18 23.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 40.5 t30 82.09 20.85 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.15 135.25 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.572 HG13 HG21 ' A' ' 48' ' ' ILE . 41.1 t -48.22 128.85 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.4 t-105 -130.04 149.44 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 30.9 m-20 -86.35 149.01 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.72 -27.04 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.91 -4.5 59.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.1 ttt180 -105.46 125.03 34.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.44 34.05 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -53.75 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CD ' ' CZ2' ' A' ' 27' ' ' TRP . 1.3 mt-10 -111.88 -38.02 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.532 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -169.74 -175.18 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.38 111.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.832 ' SG ' HG13 ' A' ' 51' ' ' VAL . 7.8 p -152.01 178.9 8.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.334 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.7 p -95.13 167.04 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 31' ' ' PRO . 45.4 tp -137.53 122.14 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -135.61 118.32 16.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.01 129.07 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.402 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 1.2 mp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.2 pttt -165.16 158.33 13.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.95 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.669 HG21 ' HA ' ' A' ' 64' ' ' GLU . 24.0 pt -107.24 160.21 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 124.07 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.5 t -116.46 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.8 m -88.37 124.72 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.714 HD12 ' CG ' ' A' ' 20' ' ' LYS . 13.6 mt -63.51 161.37 35.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 3.37 5.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -16.57 16.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.22 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.714 ' CG ' HD12 ' A' ' 16' ' ' LEU . 25.1 tttt -59.73 155.62 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -113.32 153.85 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 23' ' ' ASP . 90.6 t -136.54 167.56 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.546 ' N ' HG12 ' A' ' 22' ' ' VAL . 16.9 m-20 -112.23 126.81 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.678 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -140.72 179.11 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.3 mt-10 -133.82 142.21 47.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.0 p -64.47 130.33 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.3 m95 60.97 33.8 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 8.9 mttm -136.68 -66.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.91 ' O ' HD22 ' A' ' 62' ' ' LEU . 76.2 m -99.81 144.5 28.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.11 176.44 1.57 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.99 -20.12 17.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.0 -34.07 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -78.31 -53.81 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.404 HG21 HD23 ' A' ' 68' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.489 ' HA ' HD13 ' A' ' 48' ' ' ILE . 11.5 mm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.32 133.39 35.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -98.94 146.7 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.847 HG13 ' SG ' ' A' ' 66' ' ' CYS . 42.8 t -132.59 98.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER 81.65 24.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.4 t-20 81.92 19.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.89 135.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -50.73 127.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.9 t-105 -128.52 155.05 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.024 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 25.6 m-20 -91.9 146.65 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -26.65 59.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.46 4.37 46.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 1.6 ttm180 -116.79 126.35 27.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.16 33.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -51.85 178.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 7.8 mt-10 -117.73 -36.79 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.669 ' HA ' HG21 ' A' ' 12' ' ' ILE . 11.9 pt-20 -172.21 179.33 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -41.3 109.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.847 ' SG ' HG13 ' A' ' 51' ' ' VAL . 12.0 p -152.1 175.78 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.4 p -95.51 164.97 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' A' ' 31' ' ' PRO . 18.8 tp -131.01 129.55 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' N ' HD12 ' A' ' 68' ' ' LEU . 49.8 tt0 -142.85 123.47 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -91.37 129.74 37.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 1.4 pttp -155.84 174.64 3.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.08 124.58 8.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 14.7 pt -127.88 148.76 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.44 136.04 45.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.586 HG11 HD12 ' A' ' 34' ' ' ILE . 40.6 t -132.83 113.43 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -88.39 133.1 34.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' A' ' 20' ' ' LYS . 98.9 mt -68.75 161.08 74.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.99 1.8 7.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -9.82 18.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.69 -32.16 5.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.21 167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -130.32 147.84 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.85 161.04 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -105.44 132.63 51.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -141.22 171.67 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 11.3 mt-10 -126.5 142.76 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -63.77 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.1 m95 49.82 29.92 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -129.14 -67.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.627 ' O ' HD22 ' A' ' 62' ' ' LEU . 63.2 m -98.67 153.24 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.22 175.64 2.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.5 Cg_endo -74.96 -21.55 15.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.4 t80 -71.44 -39.3 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -71.28 -54.78 9.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.586 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.62 HG22 HD22 ' A' ' 71' ' ' LEU . 5.5 mm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.01 134.77 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.525 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 18.5 mttp -98.91 149.54 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.912 HG13 ' SG ' ' A' ' 66' ' ' CYS . 39.1 t -135.79 98.41 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 80.65 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 4.1 t-20 81.56 20.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.09 135.88 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.79 133.71 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.557 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -137.01 148.78 47.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 10.3 m-20 -83.96 153.0 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 mt -79.52 -33.09 42.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.25 -4.97 57.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -104.62 123.5 40.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.22 33.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.561 1.822 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.627 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -55.19 171.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -110.56 -37.87 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 13.7 pt-20 -167.64 174.99 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -40.46 114.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.912 ' SG ' HG13 ' A' ' 51' ' ' VAL . 25.5 p -152.05 178.0 9.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.265 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.3 p -96.32 155.08 16.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 31' ' ' PRO . 26.0 tp -123.41 129.91 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -142.88 115.95 8.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -84.09 132.22 34.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 158.7 27.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.814 HG21 ' HA ' ' A' ' 64' ' ' GLU . 22.4 pt -103.69 169.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 135.21 54.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.522 HG11 HD12 ' A' ' 34' ' ' ILE . 39.4 t -128.2 114.77 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 m -85.35 136.78 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD12 ' HB3' ' A' ' 20' ' ' LYS . 86.0 mt -73.19 161.44 79.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.03 1.9 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 -8.52 16.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.36 -32.12 6.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.655 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.97 169.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -132.7 151.07 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 23' ' ' ASP . 39.2 t -142.27 163.87 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' N ' HG12 ' A' ' 22' ' ' VAL . 4.9 p-10 -103.36 137.14 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -140.11 176.82 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 33.4 mt-10 -137.22 125.26 22.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -54.48 122.24 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 65.5 40.05 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 108.055 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 1.5 mttt -145.06 -64.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.685 ' O ' HD22 ' A' ' 62' ' ' LEU . 79.6 m -96.32 154.7 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.1 p -123.64 173.94 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.59 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.0 -24.15 13.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.9 t80 -71.06 -35.87 72.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 20.4 mt-30 -73.5 -55.15 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.522 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.448 HG21 HG13 ' A' ' 55' ' ' VAL . 8.0 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.82 134.3 34.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -99.78 128.72 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.861 HG13 ' SG ' ' A' ' 66' ' ' CYS . 42.8 t -113.82 98.04 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.1 t-20 78.85 31.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 22.4 m-20 76.59 17.22 1.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -124.11 136.4 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.448 HG13 HG21 ' A' ' 48' ' ' ILE . 38.9 t -52.47 130.85 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.431 ' CB ' HG23 ' A' ' 51' ' ' VAL . 5.8 t-105 -139.4 128.49 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.19 148.52 51.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.5 mt -69.2 -39.63 78.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -84.28 50.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -158.14 129.4 3.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.56 34.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.71 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -60.07 -177.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 56' ' ' TRP . 2.9 mt-10 -116.97 -35.67 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.814 ' HA ' HG21 ' A' ' 12' ' ' ILE . 10.9 pt-20 -171.46 -175.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -48.59 113.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.861 ' SG ' HG13 ' A' ' 51' ' ' VAL . 6.2 p -152.16 -179.11 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.2 p -104.46 149.58 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 31' ' ' PRO . 16.5 tp -115.28 121.99 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.04 109.67 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 70' ' ' LEU . 1.4 mm? -83.17 121.13 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -168.46 158.41 8.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 109.14 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 64' ' ' GLU . 16.3 pt -104.76 172.33 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -124.55 135.88 53.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 41.6 t -128.26 137.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 m -104.54 131.74 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 68.9 mt -69.59 161.28 75.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 3.07 5.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -102.83 -14.02 16.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.3 -31.78 5.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 166.15 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.91 157.67 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -142.83 176.39 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.35 134.06 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.8 179.24 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 6.3 mt-10 -137.13 133.62 35.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -61.07 131.0 49.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.551 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 15.3 m95 59.1 35.69 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.14 -63.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.836 ' O ' HD22 ' A' ' 62' ' ' LEU . 42.7 m -102.89 145.21 30.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.402 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.7 OUTLIER -114.77 176.62 1.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.0 -28.94 8.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.5 t80 -65.39 -31.8 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' ILE . 30.7 mt-30 -77.87 -57.54 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 48' ' ' ILE . 5.2 mm . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.58 139.21 34.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 16.3 mttp -100.6 146.1 27.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.955 HG13 ' SG ' ' A' ' 66' ' ' CYS . 41.5 t -131.55 97.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.1 t-20 82.66 24.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 11.6 t30 82.24 19.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.25 133.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.4 t -45.86 136.08 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.482 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -140.71 124.78 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -59.52 142.61 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.9 mt -66.48 -39.18 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -85.67 49.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -154.74 126.85 3.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.79 32.98 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -62.86 175.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 30.4 mt-10 -110.75 -34.07 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.77 ' HA ' HG21 ' A' ' 12' ' ' ILE . 15.7 pt-20 -171.15 174.08 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -40.64 119.71 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.955 ' SG ' HG13 ' A' ' 51' ' ' VAL . 29.4 p -152.49 -177.12 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 p -103.68 141.97 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 31' ' ' PRO . 49.8 tp -108.11 140.65 40.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.27 108.51 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.69 124.76 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.451 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 1.2 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -163.62 157.77 16.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.22 3.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.754 HG21 ' HA ' ' A' ' 64' ' ' GLU . 15.3 pt -109.02 170.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 132.2 53.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 HD12 ' A' ' 34' ' ' ILE . 76.9 t -122.78 114.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -87.18 124.78 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 20' ' ' LYS . 33.1 mt -61.5 160.43 25.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 2.05 7.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -103.44 -11.21 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.96 -32.13 5.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.693 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.18 166.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -124.22 154.76 39.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.6 t -142.13 158.58 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -102.86 128.63 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.48 178.79 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.2 mt-10 -137.14 138.67 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -64.65 128.05 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.554 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.7 m95 60.57 39.79 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -143.59 -67.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.875 ' O ' HD22 ' A' ' 62' ' ' LEU . 86.4 m -101.2 140.16 35.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -111.39 176.32 1.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.816 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -69.88 -31.94 70.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -87.05 -34.85 19.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 30' ' ' THR . 1.6 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.847 HG22 HD12 ' A' ' 71' ' ' LEU . 1.5 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -107.41 136.88 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -98.59 124.69 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.842 HG13 ' SG ' ' A' ' 66' ' ' CYS . 52.2 t -112.62 102.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 3.0 t30 78.23 25.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.4 t-20 80.45 21.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -130.64 139.01 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.81 129.32 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.45 ' CB ' HG23 ' A' ' 51' ' ' VAL . 6.2 t-105 -133.6 124.99 27.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 107.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -64.77 143.12 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -38.66 91.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 49.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -157.54 124.78 2.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 146.08 32.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -61.38 174.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 36.5 mt-10 -109.56 -34.95 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.754 ' HA ' HG21 ' A' ' 12' ' ' ILE . 2.7 pt-20 -170.59 179.46 3.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -47.31 116.06 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.842 ' SG ' HG13 ' A' ' 51' ' ' VAL . 4.4 p -151.92 174.65 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 p -95.28 135.51 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD11 ' HB1' ' A' ' 49' ' ' ALA . 47.6 tp -107.99 134.7 50.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -145.58 111.75 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.526 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -70.63 144.56 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.847 HD12 HG22 ' A' ' 48' ' ' ILE . 83.8 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -148.3 158.21 41.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 18.3 Cg_endo -75.03 109.19 2.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.907 HG21 ' HA ' ' A' ' 64' ' ' GLU . 44.2 pt -106.01 173.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 123.65 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 34' ' ' ILE . 62.8 t -112.11 116.85 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 m -87.23 124.93 33.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 20' ' ' LYS . 14.2 mt -63.77 161.33 37.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 2.94 6.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.793 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.06 -15.48 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.24 5.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -56.13 163.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -125.57 150.3 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.04 163.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 131.74 46.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.95 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 14.0 mt-10 -136.97 125.61 23.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.7 p -57.76 132.38 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.5 m95 61.07 30.41 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 4.4 mttm -136.77 -76.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 30' ' ' THR . 69.1 m -76.91 171.77 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.493 ' N ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -135.76 166.78 25.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.508 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.94 -19.76 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.5 t80 -80.93 -32.77 34.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -74.27 -48.85 25.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.497 HD12 HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 55' ' ' VAL . 8.2 mm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.9 138.14 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.8 mttp -101.48 124.3 46.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.893 HG13 ' SG ' ' A' ' 66' ' ' CYS . 44.3 t -109.85 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.9 35.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 71.2 24.43 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.08 138.3 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 48' ' ' ILE . 39.5 t -52.34 130.46 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.464 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.1 t-105 -140.1 124.95 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.01 145.66 55.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.94 35.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' C ' HG22 ' A' ' 30' ' ' THR . 4.2 ttt180 -141.99 133.68 13.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.72 32.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -62.14 179.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 10.3 mt-10 -114.13 -37.46 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.907 ' HA ' HG21 ' A' ' 12' ' ' ILE . 7.4 pt-20 -177.23 -176.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -41.53 112.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.893 ' SG ' HG13 ' A' ' 51' ' ' VAL . 22.8 p -151.96 -175.2 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 p -111.18 147.41 35.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.544 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 38.3 tp -110.92 138.74 46.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' H ' HD12 ' A' ' 68' ' ' LEU . 20.0 tt0 -151.39 108.35 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 131.28 36.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.4 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -135.87 173.76 5.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.671 HG21 ' HA ' ' A' ' 64' ' ' GLU . 17.4 pt -113.0 163.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 122.01 41.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.38 113.19 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.5 m -87.63 124.77 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 5.0 mt -64.43 162.03 37.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 3.08 5.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.6 -17.37 17.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.05 -32.15 5.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.61 170.1 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -126.62 159.18 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 23' ' ' ASP . 45.1 t -141.25 165.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' N ' HG12 ' A' ' 22' ' ' VAL . 2.3 m-20 -104.66 122.82 46.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -137.92 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.461 ' CA ' HG12 ' A' ' 12' ' ' ILE . 26.6 mt-10 -136.83 139.3 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 9' ' ' SER . 16.0 p -60.16 128.87 38.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 19.0 m95 60.29 36.02 20.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 4.2 mttm -134.26 -73.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.578 ' O ' HD22 ' A' ' 62' ' ' LEU . 67.3 m -86.78 168.78 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.632 HG22 ' HA ' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -132.17 167.33 22.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.586 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.04 -20.02 17.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -80.77 -33.06 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -74.08 -47.88 33.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.825 HG21 HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.796 ' HB2' HD13 ' A' ' 70' ' ' LEU . . . -96.47 145.03 26.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -98.63 130.08 45.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.831 HG13 ' SG ' ' A' ' 66' ' ' CYS . 37.1 t -117.42 107.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.1 t30 75.67 22.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.9 t-20 82.54 20.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -131.38 138.56 52.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.825 HG13 HG21 ' A' ' 48' ' ' ILE . 55.2 t -46.87 136.82 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 3.9 t-105 -145.94 127.48 15.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -66.35 143.08 57.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -70.27 -13.26 62.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.82 -30.36 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -77.59 126.29 84.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.01 147.01 33.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.56 175.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.4 mt-10 -117.29 -37.71 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.671 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.9 pt-20 -173.5 -178.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -40.81 109.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.831 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.8 p -152.17 -176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -102.13 172.17 7.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.397 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 31' ' ' PRO . 13.0 tp -138.55 125.65 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.6 tt0 -144.16 111.26 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.796 HD13 ' HB2' ' A' ' 49' ' ' ALA . 1.1 mm? -82.23 126.94 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HE2' HG22 ' A' ' 12' ' ' ILE . 3.9 pttt -139.52 159.02 67.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 110.32 3.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.879 HG21 ' HA ' ' A' ' 64' ' ' GLU . 22.4 pt -105.62 170.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 121.68 39.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG11 HD12 ' A' ' 34' ' ' ILE . 54.5 t -115.33 121.42 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.2 m -93.54 133.54 36.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 88.0 mt -71.12 161.81 76.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.641 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 2.93 6.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -103.53 -14.5 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 -31.99 5.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 168.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.743 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -131.1 149.63 52.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 t -137.85 158.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -101.32 124.43 47.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -133.73 179.14 6.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 23.8 mt-10 -134.9 133.72 39.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -63.44 120.94 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 7.6 m95 72.74 36.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.24 -61.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.828 ' O ' HD22 ' A' ' 62' ' ' LEU . 69.9 m -99.39 148.09 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.64 174.58 2.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.646 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.1 Cg_endo -74.97 -21.3 16.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -73.77 -31.27 63.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -78.62 -53.7 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.449 HD12 HG11 ' A' ' 14' ' ' VAL . 1.1 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' LEU . 20.7 mm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -104.15 131.85 51.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -98.36 138.03 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.888 HG13 ' SG ' ' A' ' 66' ' ' CYS . 37.7 t -125.23 100.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.2 t-20 76.35 25.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 34.8 t30 81.88 19.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.88 128.49 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -44.67 134.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ALA . 6.1 t-105 -140.54 134.03 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.21 143.68 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -87.89 45.51 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -155.3 130.47 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.44 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 11.6 mt-10 -116.03 -34.39 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HA ' HG21 ' A' ' 12' ' ' ILE . 16.2 pt-20 -178.29 179.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -40.09 109.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.888 ' SG ' HG13 ' A' ' 51' ' ' VAL . 23.5 p -152.2 170.79 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 p -93.42 149.66 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD13 ' HB3' ' A' ' 31' ' ' PRO . 30.7 tp -116.23 131.94 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.73 122.88 12.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.641 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -86.88 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ILE . 2.6 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 157.94 64.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.433 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 18.2 Cg_endo -75.05 111.66 3.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.898 HG21 ' HA ' ' A' ' 64' ' ' GLU . 12.3 pt -109.54 164.68 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.48 125.91 54.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 34' ' ' ILE . 53.5 t -117.82 111.85 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -85.12 128.49 34.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 20' ' ' LYS . 20.5 mt -66.43 161.09 61.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 3.17 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -102.93 -14.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.61 -32.24 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD12 ' A' ' 16' ' ' LEU . 1.3 mmmt -56.3 165.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.76 153.03 44.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.36 161.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.38 128.46 45.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -135.61 174.55 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 11' ' ' PRO . 1.5 mm-40 -134.44 137.04 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.5 p -64.69 130.9 45.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 59.53 34.1 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 107.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -138.58 -62.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.596 ' O ' HD22 ' A' ' 62' ' ' LEU . 52.8 m -99.08 158.15 15.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.7 p -127.86 172.77 6.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.696 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -74.94 -19.23 18.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.9 t80 -75.05 -34.38 61.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -76.5 -47.87 21.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.661 HD12 HG11 ' A' ' 14' ' ' VAL . 1.1 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 48' ' ' ILE . 18.8 mm . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.11 132.35 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HD2' HD21 ' A' ' 71' ' ' LEU . 32.7 mttp -99.45 132.14 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.818 HG13 ' SG ' ' A' ' 66' ' ' CYS . 39.9 t -117.59 102.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.1 t30 78.1 28.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.3 t30 77.74 21.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.12 134.62 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -47.54 134.34 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -139.97 145.9 38.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 4.9 m-20 -80.11 151.32 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -76.17 -28.79 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.19 -31.41 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 12.2 ttt85 -76.7 123.24 87.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.642 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -50.41 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.7 mt-10 -115.48 -39.06 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.898 ' HA ' HG21 ' A' ' 12' ' ' ILE . 13.0 pt-20 -169.26 -177.51 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -43.59 110.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.818 ' SG ' HG13 ' A' ' 51' ' ' VAL . 9.7 p -152.18 173.47 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 p -100.21 144.86 28.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 31' ' ' PRO . 26.1 tp -108.35 132.24 53.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.99 120.15 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.657 ' N ' HD22 ' A' ' 70' ' ' LEU . 1.2 mm? -90.53 120.93 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.47 HD21 ' HD2' ' A' ' 50' ' ' LYS . 29.5 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 158.09 21.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.728 HG21 ' HA ' ' A' ' 64' ' ' GLU . 27.6 pt -108.62 168.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 129.39 54.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.588 HG11 HD12 ' A' ' 34' ' ' ILE . 46.1 t -121.0 112.94 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -85.59 130.33 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 20' ' ' LYS . 74.3 mt -66.82 160.84 66.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -104.3 -12.01 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.36 -32.14 5.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -53.2 162.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 0.803 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -122.11 147.5 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 23' ' ' ASP . 62.0 t -131.59 166.55 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.7 m-20 -117.08 123.3 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.87 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -139.78 179.31 6.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 20.6 mt-10 -132.15 142.71 49.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 p -61.39 137.1 58.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 21.1 m95 56.66 21.55 5.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 3.0 mttm -120.44 -78.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.87 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 98.3 m -81.03 162.09 23.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -126.81 168.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.99 -20.19 17.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.8 t80 -79.7 -35.11 39.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ILE . 11.1 mt-30 -71.41 -51.28 24.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.588 HD12 HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 48' ' ' ILE . 15.0 mm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -94.15 133.32 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 14.3 mttp -98.72 132.54 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.875 HG13 ' SG ' ' A' ' 66' ' ' CYS . 50.0 t -120.16 97.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 79.18 35.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.08 23.21 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -131.45 132.54 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -47.81 132.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.5 ' CG ' HG21 ' A' ' 51' ' ' VAL . 6.6 t-105 -136.1 150.66 49.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 36.9 m-20 -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -82.85 -18.99 38.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.45 -18.1 22.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 21.6 ttt180 -90.3 127.54 52.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.597 ' HA ' HG22 ' A' ' 30' ' ' THR . 18.3 Cg_endo -74.95 146.96 33.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.637 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.98 173.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -113.19 -38.7 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.728 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -170.14 -177.29 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.7 113.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.875 ' SG ' HG13 ' A' ' 51' ' ' VAL . 6.9 p -152.09 -176.88 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.3 p -98.34 170.4 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 31' ' ' PRO . 36.7 tp -141.16 124.19 16.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -139.82 109.45 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD22 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -75.5 125.48 29.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.434 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 2.2 pttm -164.71 158.7 15.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.28 2.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.597 HG13 ' HB3' ' A' ' 24' ' ' ALA . 26.5 pt -105.55 156.79 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -110.29 136.34 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG11 HD13 ' A' ' 34' ' ' ILE . 51.3 t -131.25 116.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m -90.85 125.03 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' A' ' 20' ' ' LYS . 36.4 mt -60.1 160.09 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.0 1.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -103.22 -11.6 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.7 -32.2 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.775 ' HB3' HD12 ' A' ' 16' ' ' LEU . 5.9 mtmm -54.74 164.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 0.779 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -121.39 154.56 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 23' ' ' ASP . 45.6 t -143.31 161.07 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -103.44 133.1 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -137.63 171.08 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 34.8 mt-10 -134.11 131.52 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -57.3 134.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.9 m95 51.24 40.58 26.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 9.0 mmmt -142.16 -74.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.55 ' O ' HD22 ' A' ' 62' ' ' LEU . 54.4 m -94.29 153.86 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.465 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -122.4 179.72 0.94 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.648 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -30.4 7.17 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.514 1.797 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.524 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -66.09 -47.33 74.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -71.61 -25.79 62.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 HG11 ' A' ' 14' ' ' VAL . 12.3 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.611 HG21 HG13 ' A' ' 55' ' ' VAL . 6.4 mm . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -97.79 137.56 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -98.9 138.57 35.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.919 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.7 t -123.97 97.95 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER 80.12 30.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 76.25 20.88 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.69 130.08 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 48' ' ' ILE . 28.6 t -44.64 138.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.507 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -141.81 133.02 26.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -71.35 139.29 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.2 mt -65.44 -31.73 72.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -89.11 46.04 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -157.3 129.69 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.43 32.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.616 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -57.79 -177.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -117.71 -36.38 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.1 pt-20 -172.78 175.68 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.01 115.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.919 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.7 p -152.07 -176.17 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 p -107.69 143.35 36.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 31' ' ' PRO . 62.3 tp -107.96 137.93 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -153.68 106.86 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.668 HD22 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -74.88 138.49 42.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ILE . 1.6 mp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -156.19 157.96 31.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 109.97 3.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.924 HG21 ' HA ' ' A' ' 64' ' ' GLU . 11.3 pt -108.13 169.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.32 133.89 55.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 44.7 t -126.31 117.39 48.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -86.59 138.39 31.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.967 HD12 ' HB3' ' A' ' 20' ' ' LYS . 68.7 mt -74.48 161.41 78.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.05 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -108.9 -3.78 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.64 -32.08 6.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.967 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.21 167.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -134.12 151.79 51.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.5 t -144.56 161.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.83 131.62 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.28 179.06 6.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 38.2 mt-10 -137.22 135.98 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 p -65.52 125.87 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.567 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 64.24 34.59 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.28 -63.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.822 ' O ' HD22 ' A' ' 62' ' ' LEU . 93.5 m -98.88 150.05 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -118.93 174.96 2.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.02 -26.8 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.7 t80 -69.3 -37.36 77.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 mt-30 -71.68 -54.02 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD13 ' A' ' 48' ' ' ILE . 13.6 mm . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -103.62 136.63 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -99.28 136.55 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.895 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.7 t -123.47 98.8 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.3 t-20 81.83 24.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.9 t-20 81.72 19.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.1 134.09 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 t -46.32 137.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.8 t-105 -142.8 128.57 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.2 147.17 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.2 mt -71.09 -36.47 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.91 47.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 30' ' ' THR . 8.2 ttt180 -155.27 129.68 4.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.58 35.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.822 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -60.76 178.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 6.6 mt-10 -111.2 -34.92 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.924 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.4 pt-20 -177.9 -179.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.81 112.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.895 ' SG ' HG13 ' A' ' 51' ' ' VAL . 23.5 p -152.14 179.18 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.0 p -103.29 144.82 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 31' ' ' PRO . 62.0 tp -110.6 136.16 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -150.16 116.57 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 129.14 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -166.02 158.53 12.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.412 ' CA ' ' OE2' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.97 110.61 3.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.643 HG21 ' HA ' ' A' ' 64' ' ' GLU . 42.8 pt -106.89 171.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.89 135.08 49.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -128.88 119.38 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.7 m -88.44 124.93 34.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 20' ' ' LYS . 10.0 mt -63.8 161.2 39.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.0 2.88 6.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -101.32 -15.64 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.84 -31.44 5.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.642 ' HG2' HD12 ' A' ' 16' ' ' LEU . 23.0 tttt -60.75 154.93 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -108.99 152.5 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 23' ' ' ASP . 86.2 t -131.84 165.94 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 22' ' ' VAL . 22.6 m-20 -114.65 126.61 55.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.546 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -140.88 178.27 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.6 mm-40 -134.94 141.89 46.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -62.02 130.36 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 58.0 41.33 24.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -142.36 -71.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.553 ' O ' HD22 ' A' ' 62' ' ' LEU . 52.5 m -97.42 152.5 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.465 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -121.48 -179.8 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.98 -28.78 8.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 3.3 t80 -66.88 -51.22 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.41 -30.83 70.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.602 HG21 ' CD2' ' A' ' 68' ' ' LEU . 6.6 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 48' ' ' ILE . 14.4 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -96.23 131.49 42.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 13.9 mttp -99.13 128.4 45.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.919 HG13 ' SG ' ' A' ' 66' ' ' CYS . 48.0 t -115.16 99.98 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.11 34.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.46 21.79 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.358 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -131.24 133.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.2 t -47.44 136.94 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.468 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -143.09 133.35 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -70.26 145.07 51.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.0 mt -70.29 -31.09 68.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -90.36 39.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -148.65 128.09 6.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.9 33.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.598 HD13 ' N ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.52 -178.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -115.32 -33.35 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.643 ' HA ' HG21 ' A' ' 12' ' ' ILE . 11.0 pt-20 -175.31 177.75 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -41.16 113.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.919 ' SG ' HG13 ' A' ' 51' ' ' VAL . 25.4 p -151.83 179.68 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 p -100.34 155.03 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.602 ' CD2' HG21 ' A' ' 34' ' ' ILE . 45.5 tp -124.87 133.77 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -144.02 110.99 5.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -76.41 124.49 27.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.443 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 2.6 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -169.07 157.64 7.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.713 HG21 ' HA ' ' A' ' 64' ' ' GLU . 15.6 pt -111.24 167.24 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -115.81 137.43 52.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 60.4 t -131.6 119.81 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -91.33 144.97 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.917 HD12 ' HB3' ' A' ' 20' ' ' LYS . 39.4 mt -80.59 162.38 60.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 1.43 7.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.41 -13.26 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 -32.02 5.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.917 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.26 159.12 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -123.15 151.59 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 t -141.62 160.57 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.26 132.38 46.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -138.55 177.84 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 28' ' ' LYS . 2.1 mp0 -137.14 135.52 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 p -59.57 135.29 57.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CZ2' ' OE2' ' A' ' 63' ' ' GLU . 8.5 m95 51.88 37.65 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -139.15 -64.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' HD22 ' A' ' 62' ' ' LEU . 92.6 m -99.4 155.54 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 2.0 p -125.2 173.32 5.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.755 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.01 -19.95 17.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.811 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.0 t80 -74.16 -36.11 64.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ILE . 8.1 mt-30 -74.27 -54.15 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.02 133.31 35.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -98.79 132.95 43.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.89 HG13 ' SG ' ' A' ' 66' ' ' CYS . 53.5 t -120.02 100.31 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 80.01 29.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.6 t30 75.7 22.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.27 135.89 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.14 131.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.574 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.9 t-105 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 70.2 m-20 -85.72 151.2 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 2.1 mt -76.39 -27.58 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.83 -22.25 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 2.1 ttt180 -86.33 124.43 69.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 147.31 33.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.75 175.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' OE2' ' CZ2' ' A' ' 27' ' ' TRP . 3.2 mt-10 -113.83 -39.3 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.713 ' HA ' HG21 ' A' ' 12' ' ' ILE . 12.3 pt-20 -173.11 -178.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' GLU . 2.8 p-10 -40.23 110.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.89 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.7 p -152.11 177.49 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 p -102.3 145.09 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 31' ' ' PRO . 30.3 tp -113.34 139.14 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -150.3 125.05 9.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.41 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -92.5 118.04 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -164.08 163.81 15.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 112.55 3.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.7 HG21 ' HA ' ' A' ' 64' ' ' GLU . 26.2 pt -106.59 162.45 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -113.17 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.76 114.6 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 m -89.52 128.84 36.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 ' CB ' ' A' ' 20' ' ' LYS . 46.9 mt -64.18 160.19 50.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.05 1.58 7.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.541 1.811 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.53 -5.63 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.98 -32.04 6.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.698 ' CB ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.6 166.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.85 152.08 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 23' ' ' ASP . 58.5 t -141.24 163.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' N ' HG12 ' A' ' 22' ' ' VAL . 11.2 p-10 -104.61 131.44 52.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.85 175.74 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 34.0 mt-10 -137.27 133.03 34.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 p -58.33 128.98 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.4 m95 58.48 41.17 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -143.06 -65.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.793 ' O ' HD22 ' A' ' 62' ' ' LEU . 91.7 m -98.8 154.55 17.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.13 173.89 4.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.94 -21.56 15.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.0 t80 -73.83 -33.82 64.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ILE . 26.9 mt-30 -77.21 -53.15 8.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.498 ' CG2' HG13 ' A' ' 55' ' ' VAL . 20.8 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . . . -92.08 131.41 37.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 53' ' ' ASN . 16.3 mttm -98.95 142.27 30.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.834 HG13 ' SG ' ' A' ' 66' ' ' CYS . 54.8 t -128.35 99.25 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 80.72 29.67 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.6 OUTLIER 76.63 20.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -130.53 132.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.498 HG13 ' CG2' ' A' ' 48' ' ' ILE . 49.6 t -46.8 134.5 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.49 ' CB ' HG23 ' A' ' 51' ' ' VAL . 5.7 t-105 -139.92 124.99 18.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.49 142.77 58.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.411 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -64.29 -40.18 95.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -83.98 51.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.54 127.78 3.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.12 33.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.793 HD22 ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -58.62 -177.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 57.4 mt-10 -117.77 -35.73 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.7 ' HA ' HG21 ' A' ' 12' ' ' ILE . 5.7 pt-20 -175.94 -179.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -40.8 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.834 ' SG ' HG13 ' A' ' 51' ' ' VAL . 9.1 p -152.18 174.28 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 p -94.99 161.29 14.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 31' ' ' PRO . 36.3 tp -127.18 128.39 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -139.63 121.57 15.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -89.09 129.16 35.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -80.17 114.24 18.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 t -48.4 112.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.36 115.57 6.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -140.81 100.67 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.032 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m 41.45 90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.68 76.55 0.41 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.77 98.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t -46.92 172.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 158.19 18.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 110.12 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.778 HG21 ' HA ' ' A' ' 64' ' ' GLU . 19.0 pt -106.39 173.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 135.28 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.446 HG11 HD12 ' A' ' 34' ' ' ILE . 44.6 t -125.26 117.38 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -89.17 126.89 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.004 HD12 ' HB3' ' A' ' 20' ' ' LYS . 79.3 mt -62.82 160.33 37.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.79 7.36 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -105.18 -9.54 17.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.4 -32.09 5.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.546 1.153 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 1.004 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.97 160.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -123.56 148.51 46.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 23' ' ' ASP . 6.5 t -139.08 166.6 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -106.59 134.49 49.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.61 179.34 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -136.76 137.34 39.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -63.09 129.93 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 10.2 m95 56.13 38.14 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -141.0 -56.94 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.708 ' O ' HD22 ' A' ' 62' ' ' LEU . 89.1 m -106.87 152.88 23.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -123.25 174.36 3.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.643 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.97 -20.49 16.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.1 t80 -73.68 -36.04 65.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -74.69 -51.43 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.446 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -44.47 -47.13 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -69.33 -54.13 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.6 m -43.11 -46.69 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.77 -48.1 5.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.3 mt -61.13 167.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.523 ' N ' HG22 ' A' ' 38' ' ' ILE . 69.2 m -39.21 122.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -47.49 122.92 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.37 -34.22 2.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD13 HG21 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -57.46 -58.66 7.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.89 68.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -61.37 -34.37 75.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -103.25 60.37 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 47' ' ' VAL . 27.5 m -133.22 172.03 13.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.405 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.888 HG11 ' HA ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -139.95 -83.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.604 ' H ' HG23 ' A' ' 47' ' ' VAL . 12.1 mm -121.77 128.28 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.78 136.23 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -98.99 125.64 44.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.829 HG13 ' SG ' ' A' ' 66' ' ' CYS . 54.5 t -112.36 100.58 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 79.85 29.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 75.62 23.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -130.84 139.19 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.563 HG13 HG21 ' A' ' 48' ' ' ILE . 37.2 t -52.38 129.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -134.09 147.85 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 2.8 m-20 -85.28 144.41 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.777 HD11 ' O ' ' A' ' 47' ' ' VAL . 1.7 mt -70.74 -29.23 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.47 -15.13 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.8 ttt85 -93.72 125.16 54.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.31 33.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.45 177.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.3 mt-10 -116.42 -36.31 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.778 ' HA ' HG21 ' A' ' 12' ' ' ILE . 14.6 pt-20 -175.44 -177.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -40.48 110.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.829 ' SG ' HG13 ' A' ' 51' ' ' VAL . 10.4 p -152.08 178.41 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -106.67 143.94 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 31' ' ' PRO . 21.8 tp -108.02 136.63 47.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' H ' HD12 ' A' ' 68' ' ' LEU . 13.1 tt0 -146.25 113.0 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.26 134.14 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -90.65 154.16 19.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -30.78 38.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.888 ' HA ' HG11 ' A' ' 47' ' ' VAL . 11.1 t80 171.69 153.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 8.0 mt-10 -47.42 164.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.33 90.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.3 70.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -170.61 150.81 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.68 165.03 37.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.95 -57.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.6 93.3 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.8 p -172.09 155.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 5.7 p90 -45.53 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.6 p -131.71 127.2 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -49.88 105.9 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.93 10.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.3 p -66.66 146.98 53.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m 64.63 83.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.36 142.11 5.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 110.003 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -156.99 159.19 37.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.85 -170.44 44.25 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.74 102.2 4.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -75.79 140.24 42.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.047 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.32 118.75 7.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -156.84 115.15 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -68.09 178.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 8.7 pttt -165.17 157.74 13.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.829 HG21 ' HA ' ' A' ' 64' ' ' GLU . 14.2 pt -104.1 166.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.1 136.0 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -129.84 115.61 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 20' ' ' LYS . 2.9 m -87.13 137.77 32.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.981 HD12 ' HB3' ' A' ' 20' ' ' LYS . 40.0 mt -72.97 161.17 80.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.94 1.41 7.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -103.8 -7.37 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.93 21.34 12.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.981 ' HB3' HD12 ' A' ' 16' ' ' LEU . 1.5 mttt -99.42 167.89 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.12 146.69 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.3 t -142.16 157.78 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -103.77 128.95 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -139.89 178.06 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.2 mt-10 -137.39 134.45 35.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -59.85 130.14 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 59.14 34.97 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 11.0 mttm -138.23 -67.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.776 ' O ' HD22 ' A' ' 62' ' ' LEU . 75.3 m -96.52 153.22 17.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.24 175.1 2.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.49 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.01 -29.41 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.799 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 9.8 t80 -66.56 -32.39 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ILE . 29.2 mt-30 -77.07 -55.94 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -40.02 -60.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.67 -58.29 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -57.99 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 108.234 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.76 -55.49 1.77 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.123 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.733 HD11 HD21 ' A' ' 16' ' ' LEU . 3.7 mt -48.94 -66.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.78 130.4 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -69.68 132.09 45.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . 125.15 -54.97 0.73 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.493 HD23 ' OG1' ' A' ' 46' ' ' THR . 1.0 OUTLIER -40.56 -49.47 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.09 -49.89 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' GLY . 11.3 t0 -52.58 -53.21 49.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -60.86 -46.14 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.637 HG23 ' HB3' ' A' ' 70' ' ' LEU . 60.4 m -47.26 163.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -122.48 -65.21 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.618 HG21 HG13 ' A' ' 55' ' ' VAL . 6.2 mm -141.48 134.92 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -91.1 135.74 33.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.1 mttp -99.3 126.34 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.833 HG13 ' SG ' ' A' ' 66' ' ' CYS . 55.0 t -112.23 100.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.2 t-20 80.01 32.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.57 22.71 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.16 141.77 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.618 HG13 HG21 ' A' ' 48' ' ' ILE . 30.0 t -54.39 133.34 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.7 t-105 -140.06 124.89 18.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.16 143.18 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 4.5 mt -67.37 -37.32 82.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -86.52 49.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -155.84 128.69 4.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.07 33.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.89 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.0 mt-10 -118.27 -37.29 3.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.829 ' HA ' HG21 ' A' ' 12' ' ' ILE . 7.2 pt-20 -170.11 178.27 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.08 114.62 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.833 ' SG ' HG13 ' A' ' 51' ' ' VAL . 5.9 p -151.95 179.36 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 p -104.99 145.42 30.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' A' ' 31' ' ' PRO . 22.7 tp -109.02 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -142.64 108.35 5.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -79.93 130.36 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' CB ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -86.74 153.46 21.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 3.9 mttt -81.74 -50.71 8.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.832 ' HA ' HG11 ' A' ' 47' ' ' VAL . 8.1 m-85 -169.68 43.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -111.91 100.44 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.566 ' OD1' HG21 ' A' ' 81' ' ' VAL . 20.0 t0 -151.28 84.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -111.39 -14.98 13.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -75.84 106.57 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.57 177.54 7.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.47 107.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 55.05 90.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' OD1' ' A' ' 75' ' ' ASP . 12.2 p -173.05 -41.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -154.53 136.91 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.82 -49.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.71 157.44 30.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.62 2.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 p -106.67 144.69 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.02 95.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -81.92 -55.66 4.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t 63.49 109.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.95 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.89 130.08 3.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.26 137.17 36.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.0 147.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.97 67.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.03 155.27 8.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t -51.02 163.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -155.17 175.41 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -75.06 117.96 5.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.613 HG21 ' HA ' ' A' ' 64' ' ' GLU . 18.5 pt -119.41 156.57 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -110.23 137.58 47.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG11 HD12 ' A' ' 34' ' ' ILE . 14.9 t -133.09 118.75 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 20' ' ' LYS . 8.1 m -88.88 147.2 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 20' ' ' LYS . 35.7 mt -83.74 162.68 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.49 7.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -106.57 -12.76 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.65 -31.72 5.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.662 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -48.88 167.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.47 136.95 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 23' ' ' ASP . 18.0 t -128.72 164.14 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -105.42 136.99 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -141.19 176.62 8.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.4 mt-10 -132.15 134.92 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 9' ' ' SER . 11.0 p -57.62 130.7 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.453 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 11.7 m95 54.19 40.32 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -139.66 -63.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.764 ' O ' HD22 ' A' ' 62' ' ' LEU . 95.2 m -101.73 150.91 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.401 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.09 175.77 2.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.631 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.06 -20.04 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -73.0 -41.82 63.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ILE . 25.1 mt-30 -69.25 -53.87 17.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 HG11 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -39.82 -61.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.623 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -46.19 -68.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -43.29 -50.53 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.24 -60.09 1.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.2 mt -43.84 -82.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -145.2 131.22 19.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -54.38 107.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 148.58 -44.35 0.76 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.145 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tt -51.44 -48.23 62.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.85 -25.13 66.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.9 t70 -62.15 -46.2 90.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -93.23 76.21 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.449 HG23 ' HB3' ' A' ' 70' ' ' LEU . 17.2 m -149.17 137.64 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.643 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -115.29 -47.21 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.561 HG22 HD22 ' A' ' 71' ' ' LEU . 6.9 mm -151.86 133.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -98.27 132.79 43.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 17.3 mttp -98.76 143.81 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.824 HG13 ' SG ' ' A' ' 66' ' ' CYS . 55.8 t -131.53 98.05 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.9 t-20 83.14 23.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.2 t30 82.03 20.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.53 133.67 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -45.5 132.96 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.51 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.93 148.93 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 107.98 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 39.0 m-20 -83.66 157.8 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -83.01 -29.64 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.42 -15.8 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -93.16 123.17 61.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 147.31 34.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.95 173.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 3.0 mt-10 -110.53 -38.21 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HA ' HG21 ' A' ' 12' ' ' ILE . 2.6 pt-20 -171.43 -167.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -50.43 109.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.824 ' SG ' HG13 ' A' ' 51' ' ' VAL . 8.2 p -151.93 -179.46 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 108.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 p -98.25 172.9 7.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.44 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 31' ' ' PRO . 28.4 tp -142.41 125.4 16.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -139.28 120.62 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.9 OUTLIER -84.54 131.72 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD22 HG22 ' A' ' 48' ' ' ILE . 1.2 mp -97.92 154.69 17.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -96.22 -34.56 11.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.643 ' HA ' HG21 ' A' ' 47' ' ' VAL . 38.5 t80 -169.42 139.27 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.09 167.78 10.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.88 95.9 5.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.54 172.45 13.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -52.68 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -177.0 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 38.79 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.663 ' O ' HG12 ' A' ' 81' ' ' VAL . . . 57.16 -99.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER 85.61 -5.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 49.16 -176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.7 m 41.07 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.15 159.75 52.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 111.93 3.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.81 98.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.5 p -161.42 129.56 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m 60.85 121.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 t 41.14 87.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.95 -86.36 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.64 94.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.012 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.4 -64.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.51 178.14 49.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -101.13 160.4 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 6.5 t 56.16 178.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -163.04 157.79 17.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.736 HG21 ' HA ' ' A' ' 64' ' ' GLU . 44.6 pt -105.04 167.08 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.26 131.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.673 HG11 HD12 ' A' ' 34' ' ' ILE . 40.5 t -125.27 122.57 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -94.62 130.11 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 20' ' ' LYS . 90.3 mt -66.14 160.78 61.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 1.84 7.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -103.42 -13.07 16.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.86 -32.1 5.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.84 160.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 t -140.88 164.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 132.65 50.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -135.65 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -135.42 134.22 39.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 p -59.13 132.66 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 54.02 35.75 22.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 14.0 mttm -135.49 -60.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' HD22 ' A' ' 62' ' ' LEU . 85.3 m -103.58 154.79 19.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.74 174.28 3.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.594 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -74.21 -37.09 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ILE . 15.9 mt-30 -73.42 -54.17 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.673 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -40.24 -58.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -48.01 -59.4 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -41.9 -46.47 4.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.94 -55.22 6.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.543 HD11 HD22 ' A' ' 16' ' ' LEU . 1.9 mp -40.68 -71.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -161.88 121.49 2.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.148 . . . . 0.0 109.969 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -43.56 108.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.19 -38.94 1.21 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.9 -52.63 63.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.57 62.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -30.53 68.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -102.92 69.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.5 HG23 ' HB3' ' A' ' 70' ' ' LEU . 10.5 m -138.52 147.4 43.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.884 HG21 ' N ' ' A' ' 73' ' ' PHE . 3.5 t -106.71 -65.22 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' CG2' HG13 ' A' ' 55' ' ' VAL . 10.2 mm -147.93 126.45 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.15 136.08 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -98.91 144.08 28.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG13 ' SG ' ' A' ' 66' ' ' CYS . 49.4 t -129.79 97.93 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 81.29 24.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER 82.22 18.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.78 133.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 48' ' ' ILE . 53.7 t -47.0 135.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.0 155.17 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 7.9 m-20 -89.46 150.68 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.421 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -79.81 -28.26 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.14 -2.23 58.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.451 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 43.4 ttt85 -109.8 125.76 30.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.28 33.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.32 174.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 12.1 mt-10 -113.19 -38.88 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.736 ' HA ' HG21 ' A' ' 12' ' ' ILE . 3.4 pt-20 -165.96 172.71 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -40.47 113.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.87 ' SG ' HG13 ' A' ' 51' ' ' VAL . 5.9 p -151.34 175.1 12.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -94.8 144.3 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 31' ' ' PRO . 42.7 tp -111.74 133.01 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.55 126.66 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 70' ' ' LEU . 1.1 mm? -96.5 119.75 35.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.71 154.07 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.8 ttpp -105.69 125.78 51.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.884 ' N ' HG21 ' A' ' 47' ' ' VAL . 2.4 m-85 31.18 47.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' N ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -38.08 135.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.44 24.47 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.61 -54.8 7.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.49 -169.38 2.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.93 -49.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -51.95 52.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 81' ' ' VAL . . . -103.09 93.89 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 80' ' ' ALA . 46.6 t -153.09 -50.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -106.22 142.87 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.9 p -140.72 83.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.31 157.48 51.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.33 21.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 t -147.0 122.86 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.32 105.97 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.73 163.84 37.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.64 120.82 39.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.8 160.15 27.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -85.11 -61.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -73.9 112.51 10.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.65 94.26 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.21 161.86 30.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' SER . 13.7 p -48.51 164.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -154.47 174.55 3.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG21 ' HA ' ' A' ' 64' ' ' GLU . 14.5 pt -117.34 153.1 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -109.62 129.22 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -123.9 111.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -85.68 124.61 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.542 HD21 HG21 ' A' ' 22' ' ' VAL . 10.1 mt -63.69 161.12 38.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.93 3.09 5.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -103.49 -9.26 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.55 -32.2 6.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.1 154.29 16.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -111.12 157.37 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.542 HG21 HD21 ' A' ' 16' ' ' LEU . 13.8 t -142.25 160.42 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.71 123.96 48.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.59 172.25 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.473 ' CA ' HG12 ' A' ' 12' ' ' ILE . 16.1 mt-10 -131.12 136.63 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 9' ' ' SER . 39.9 p -57.43 142.79 42.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CZ2' ' CD ' ' A' ' 63' ' ' GLU . 9.6 m95 42.2 45.28 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.984 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -144.03 -65.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.856 ' O ' HD22 ' A' ' 62' ' ' LEU . 99.9 m -101.62 148.29 25.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.85 174.65 2.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -19.93 17.29 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.811 ' CD1' ' HB1' ' A' ' 43' ' ' ALA . 8.2 t80 -73.85 -33.69 64.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 25.5 mt-30 -77.73 -53.47 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.436 ' O ' HD12 ' A' ' 38' ' ' ILE . 1.1 mt -40.13 -52.29 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.9 -58.75 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.2 t -43.61 -50.85 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.55 -45.97 12.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 39' ' ' SER . 4.3 mt -68.12 -92.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.51 ' N ' HG22 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -88.47 144.16 26.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -77.98 126.15 30.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.06 23.24 78.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 39' ' ' SER . 0.3 OUTLIER -75.97 -55.99 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.811 ' HB1' ' CD1' ' A' ' 32' ' ' TYR . . . -47.83 -43.26 27.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -49.12 -31.84 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -107.3 65.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -139.71 127.56 22.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.859 HG11 ' C ' ' A' ' 73' ' ' PHE . 53.2 t -72.92 -72.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.572 HG21 HG13 ' A' ' 55' ' ' VAL . 19.2 mm -149.34 132.55 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.07 136.35 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 16.4 mttp -98.93 142.32 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.832 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.5 t -129.92 99.2 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 3.5 t-20 82.18 23.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 40.5 t30 82.09 20.85 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.15 135.25 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.572 HG13 HG21 ' A' ' 48' ' ' ILE . 41.1 t -48.22 128.85 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.4 t-105 -130.04 149.44 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 30.9 m-20 -86.35 149.01 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.72 -27.04 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.91 -4.5 59.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.1 ttt180 -105.46 125.03 34.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.44 34.05 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -53.75 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CD ' ' CZ2' ' A' ' 27' ' ' TRP . 1.3 mt-10 -111.88 -38.02 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.532 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -169.74 -175.18 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.38 111.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.832 ' SG ' HG13 ' A' ' 51' ' ' VAL . 7.8 p -152.01 178.9 8.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.334 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.7 p -95.13 167.04 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 31' ' ' PRO . 45.4 tp -137.53 122.14 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -135.61 118.32 16.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.01 129.07 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.402 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 1.2 mp -91.31 137.73 32.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.34 35.84 2.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.859 ' C ' HG11 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -177.29 142.23 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' HG11 ' A' ' 47' ' ' VAL . 5.1 tt0 -113.04 166.85 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.557 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 10.9 t0 -167.98 97.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -179.7 136.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.68 80.39 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 46.21 87.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -167.16 111.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 64.2 88.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.557 HG22 ' HD1' ' A' ' 82' ' ' TYR . 2.7 p -149.8 152.3 11.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -44.61 140.92 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 73.69 73.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.02 -84.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 t 74.88 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -138.56 88.77 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.958 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.9 146.62 11.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 110.016 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -160.84 160.44 31.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.29 -129.38 1.76 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.54 107.27 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.27 74.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.98 -173.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -153.16 163.29 40.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p -64.46 -175.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.2 pttt -165.16 158.33 13.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.95 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.669 HG21 ' HA ' ' A' ' 64' ' ' GLU . 24.0 pt -107.24 160.21 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 124.07 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.5 t -116.46 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.8 m -88.37 124.72 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.714 HD12 ' CG ' ' A' ' 20' ' ' LYS . 13.6 mt -63.51 161.37 35.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 3.37 5.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -16.57 16.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.22 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.714 ' CG ' HD12 ' A' ' 16' ' ' LEU . 25.1 tttt -59.73 155.62 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -113.32 153.85 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 23' ' ' ASP . 90.6 t -136.54 167.56 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.546 ' N ' HG12 ' A' ' 22' ' ' VAL . 16.9 m-20 -112.23 126.81 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.678 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -140.72 179.11 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.3 mt-10 -133.82 142.21 47.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.0 p -64.47 130.33 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.3 m95 60.97 33.8 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 8.9 mttm -136.68 -66.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.91 ' O ' HD22 ' A' ' 62' ' ' LEU . 76.2 m -99.81 144.5 28.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.11 176.44 1.57 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.99 -20.12 17.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.0 -34.07 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -78.31 -53.81 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.404 HG21 HD23 ' A' ' 68' ' ' LEU . 1.1 mt -41.92 -50.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -65.87 -49.17 69.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -56.84 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.3 -56.76 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 42' ' ' LEU . 5.1 mt -52.75 166.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.523 ' N ' HG22 ' A' ' 38' ' ' ILE . 68.3 m -39.37 130.1 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.047 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -52.52 123.95 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.78 -36.23 2.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -54.47 -49.02 71.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.23 88.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.01 -43.89 78.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -86.66 51.78 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.775 HG23 ' HB3' ' A' ' 70' ' ' LEU . 27.8 m -131.64 121.46 24.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.35 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.772 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -94.42 -50.14 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.511 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 11.5 mm -151.01 127.99 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.32 133.39 35.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -98.94 146.7 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.847 HG13 ' SG ' ' A' ' 66' ' ' CYS . 42.8 t -132.59 98.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER 81.65 24.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.4 t-20 81.92 19.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.89 135.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -50.73 127.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.9 t-105 -128.52 155.05 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.024 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 25.6 m-20 -91.9 146.65 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -26.65 59.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.46 4.37 46.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 1.6 ttm180 -116.79 126.35 27.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.16 33.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -51.85 178.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 7.8 mt-10 -117.73 -36.79 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.669 ' HA ' HG21 ' A' ' 12' ' ' ILE . 11.9 pt-20 -172.21 179.33 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -41.3 109.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.847 ' SG ' HG13 ' A' ' 51' ' ' VAL . 12.0 p -152.1 175.78 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.4 p -95.51 164.97 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' A' ' 31' ' ' PRO . 18.8 tp -131.01 129.55 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' N ' HD12 ' A' ' 68' ' ' LEU . 49.8 tt0 -142.85 123.47 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.775 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.8 OUTLIER -91.37 129.74 37.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CB ' HG12 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -94.58 154.02 17.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.01 -31.53 14.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.772 ' HA ' HG21 ' A' ' 47' ' ' VAL . 37.7 t80 -173.06 134.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.31 71.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 60.27 106.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -42.52 116.1 0.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.14 146.94 31.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.18 173.14 10.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.44 -62.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.88 71.22 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p -167.58 154.28 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.71 97.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -49.3 150.25 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.85 -90.08 0.61 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 111.41 3.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.85 100.25 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.09 158.69 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -105.57 93.66 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t 61.08 82.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.8 -64.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -81.98 -58.08 3.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.048 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.8 116.09 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.95 135.88 12.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -171.27 140.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.5 p -67.05 165.33 15.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 1.4 pttp -155.84 174.64 3.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.08 124.58 8.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 14.7 pt -127.88 148.76 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.44 136.04 45.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.586 HG11 HD12 ' A' ' 34' ' ' ILE . 40.6 t -132.83 113.43 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -88.39 133.1 34.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' A' ' 20' ' ' LYS . 98.9 mt -68.75 161.08 74.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.99 1.8 7.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -9.82 18.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.69 -32.16 5.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.21 167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -130.32 147.84 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.85 161.04 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -105.44 132.63 51.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -141.22 171.67 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 11.3 mt-10 -126.5 142.76 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -63.77 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.1 m95 49.82 29.92 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -129.14 -67.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.627 ' O ' HD22 ' A' ' 62' ' ' LEU . 63.2 m -98.67 153.24 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.22 175.64 2.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.5 Cg_endo -74.96 -21.55 15.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.4 t80 -71.44 -39.3 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -71.28 -54.78 9.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.586 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -40.82 -64.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' O ' HD12 ' A' ' 38' ' ' ILE . . . -41.47 -67.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.09 -42.3 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.49 -60.13 2.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 35' ' ' ALA . 2.8 mp -41.51 -71.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -161.47 143.06 11.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -58.98 116.08 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.97 -29.85 3.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.552 1.158 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.21 -50.45 63.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.85 -41.48 91.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.98 -46.57 78.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -82.64 60.38 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 70' ' ' LEU . 18.3 m -137.48 144.42 42.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 1.3 p -118.78 -49.87 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.62 HG22 HD22 ' A' ' 71' ' ' LEU . 5.5 mm -151.67 123.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.01 134.77 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.525 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 18.5 mttp -98.91 149.54 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.912 HG13 ' SG ' ' A' ' 66' ' ' CYS . 39.1 t -135.79 98.41 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 80.65 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 4.1 t-20 81.56 20.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.09 135.88 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.79 133.71 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.557 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -137.01 148.78 47.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 10.3 m-20 -83.96 153.0 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 mt -79.52 -33.09 42.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.25 -4.97 57.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -104.62 123.5 40.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.22 33.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.561 1.822 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.627 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -55.19 171.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -110.56 -37.87 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 13.7 pt-20 -167.64 174.99 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -40.46 114.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.912 ' SG ' HG13 ' A' ' 51' ' ' VAL . 25.5 p -152.05 178.0 9.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.265 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.3 p -96.32 155.08 16.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 31' ' ' PRO . 26.0 tp -123.41 129.91 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -142.88 115.95 8.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -84.09 132.22 34.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -96.45 154.98 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 6.34 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 75' ' ' ASP . 1.8 t80 -170.7 155.99 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.483 ' OE1' ' CG2' ' A' ' 81' ' ' VAL . 10.6 pt-20 -127.85 61.6 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 2.1 t70 -125.65 84.17 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -149.44 -55.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.13 168.73 19.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.01 176.53 5.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 64.58 156.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 46.68 66.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.483 ' CG2' ' OE1' ' A' ' 74' ' ' GLU . 3.1 p -154.4 -53.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.421 ' H ' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -139.64 101.51 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.6 p -106.68 -56.38 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.1 179.2 16.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 75.53 3.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.67 -68.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 m 61.98 106.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -134.58 -58.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.54 -58.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.4 116.29 1.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.7 85.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -169.84 134.46 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.43 114.48 2.26 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -100.79 124.28 46.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p -70.08 163.85 25.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 158.7 27.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.814 HG21 ' HA ' ' A' ' 64' ' ' GLU . 22.4 pt -103.69 169.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 135.21 54.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.522 HG11 HD12 ' A' ' 34' ' ' ILE . 39.4 t -128.2 114.77 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 m -85.35 136.78 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD12 ' HB3' ' A' ' 20' ' ' LYS . 86.0 mt -73.19 161.44 79.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.03 1.9 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 -8.52 16.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.36 -32.12 6.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.655 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.97 169.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -132.7 151.07 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 23' ' ' ASP . 39.2 t -142.27 163.87 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' N ' HG12 ' A' ' 22' ' ' VAL . 4.9 p-10 -103.36 137.14 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -140.11 176.82 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 33.4 mt-10 -137.22 125.26 22.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -54.48 122.24 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 65.5 40.05 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 108.055 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 1.5 mttt -145.06 -64.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.685 ' O ' HD22 ' A' ' 62' ' ' LEU . 79.6 m -96.32 154.7 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.1 p -123.64 173.94 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.59 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.0 -24.15 13.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.9 t80 -71.06 -35.87 72.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 20.4 mt-30 -73.5 -55.15 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.522 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -40.13 -65.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 38' ' ' ILE . . . -47.17 -43.7 21.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -49.47 77.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 108.346 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ILE . . . -42.64 -53.91 5.06 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.534 1.147 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 16' ' ' LEU . 1.9 mp -40.46 -71.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -166.39 142.39 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.42 110.23 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 144.59 -42.15 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -55.07 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.69 -18.03 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -76.87 -28.77 55.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -108.95 63.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.931 HG21 HD12 ' A' ' 70' ' ' LEU . 2.9 m -147.08 164.91 31.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.609 HG11 ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -127.34 -82.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.448 HG21 HG13 ' A' ' 55' ' ' VAL . 8.0 mm -119.98 131.43 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.82 134.3 34.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' NZ ' ' OE1' ' A' ' 74' ' ' GLU . 14.7 mttp -99.78 128.72 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.861 HG13 ' SG ' ' A' ' 66' ' ' CYS . 42.8 t -113.82 98.04 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.1 t-20 78.85 31.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 22.4 m-20 76.59 17.22 1.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -124.11 136.4 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.709 HG21 ' CG ' ' A' ' 76' ' ' GLU . 38.9 t -52.47 130.85 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.431 ' CB ' HG23 ' A' ' 51' ' ' VAL . 5.8 t-105 -139.4 128.49 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.19 148.52 51.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.5 mt -69.2 -39.63 78.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -84.28 50.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -158.14 129.4 3.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.56 34.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.71 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -60.07 -177.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 56' ' ' TRP . 2.9 mt-10 -116.97 -35.67 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.814 ' HA ' HG21 ' A' ' 12' ' ' ILE . 10.9 pt-20 -171.46 -175.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -48.59 113.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.861 ' SG ' HG13 ' A' ' 51' ' ' VAL . 6.2 p -152.16 -179.11 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.2 p -104.46 149.58 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 31' ' ' PRO . 16.5 tp -115.28 121.99 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.04 109.67 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.931 HD12 HG21 ' A' ' 46' ' ' THR . 1.4 mm? -83.17 121.13 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.643 HD23 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -76.61 153.43 35.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -32.41 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.609 ' HA ' HG11 ' A' ' 47' ' ' VAL . 3.8 m-85 -152.62 -44.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.643 ' HG2' HD23 ' A' ' 71' ' ' LEU . 5.0 tt0 -40.17 134.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -132.7 60.2 1.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.709 ' CG ' HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER 76.61 -63.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -177.76 -61.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -176.97 155.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 73.31 -60.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.98 88.61 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.563 HG13 ' H ' ' A' ' 82' ' ' TYR . 3.4 p -158.45 -57.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.563 ' H ' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER 61.46 94.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.7 m -116.29 -55.72 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.037 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.69 -172.17 35.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.74 105.77 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.66 137.66 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m 56.65 169.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -69.27 145.37 53.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.29 -173.45 40.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m 60.77 112.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -165.7 108.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.07 145.75 9.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -169.42 127.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -68.44 173.54 4.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -168.46 158.41 8.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 109.14 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 64' ' ' GLU . 16.3 pt -104.76 172.33 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -124.55 135.88 53.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 41.6 t -128.26 137.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 m -104.54 131.74 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 68.9 mt -69.59 161.28 75.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 3.07 5.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -102.83 -14.02 16.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.3 -31.78 5.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 166.15 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.91 157.67 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -142.83 176.39 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.35 134.06 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.8 179.24 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 6.3 mt-10 -137.13 133.62 35.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -61.07 131.0 49.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.551 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 15.3 m95 59.1 35.69 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.14 -63.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.836 ' O ' HD22 ' A' ' 62' ' ' LEU . 42.7 m -102.89 145.21 30.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.402 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.7 OUTLIER -114.77 176.62 1.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.0 -28.94 8.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.5 t80 -65.39 -31.8 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' ILE . 30.7 mt-30 -77.87 -57.54 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt -40.3 -51.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' O ' HD12 ' A' ' 38' ' ' ILE . . . -49.74 -60.36 2.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -42.99 -44.34 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.07 -57.29 2.09 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 35' ' ' ALA . 2.9 mp -42.42 -69.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -157.58 125.65 5.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.942 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.28 107.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.53 -48.73 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.48 -58.76 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.84 -61.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -53.35 5.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -91.42 84.93 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.9 m -145.21 147.19 32.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.952 HG21 ' N ' ' A' ' 73' ' ' PHE . 47.9 t -92.84 -74.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 48' ' ' ILE . 5.2 mm -150.31 136.48 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.58 139.21 34.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 16.3 mttp -100.6 146.1 27.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.955 HG13 ' SG ' ' A' ' 66' ' ' CYS . 41.5 t -131.55 97.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.1 t-20 82.66 24.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 11.6 t30 82.24 19.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.25 133.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.4 t -45.86 136.08 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.482 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -140.71 124.78 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -59.52 142.61 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.9 mt -66.48 -39.18 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -85.67 49.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -154.74 126.85 3.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.79 32.98 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -62.86 175.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 30.4 mt-10 -110.75 -34.07 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.77 ' HA ' HG21 ' A' ' 12' ' ' ILE . 15.7 pt-20 -171.15 174.08 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -40.64 119.71 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.955 ' SG ' HG13 ' A' ' 51' ' ' VAL . 29.4 p -152.49 -177.12 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 p -103.68 141.97 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 31' ' ' PRO . 49.8 tp -108.11 140.65 40.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.27 108.51 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.69 124.76 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.451 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 1.2 mp -86.21 140.24 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 42.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.952 ' N ' HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER 173.0 141.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.624 ' HB3' HG13 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -110.79 177.27 4.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.546 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER 172.61 101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 3.5 mt-10 163.08 157.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.69 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 1.2 tp10 -90.97 64.54 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 83.46 -143.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 71.32 -71.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.06 -35.3 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 m -107.57 -166.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -126.35 123.88 39.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 p -112.46 118.78 36.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.959 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.46 -79.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.87 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 m 51.96 81.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.936 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.25 151.18 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -71.09 95.52 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.032 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -165.83 118.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.93 165.11 24.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -65.79 -59.14 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -155.37 157.32 36.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.68 130.9 8.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -64.43 162.36 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -57.12 173.98 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -163.62 157.77 16.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.22 3.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.754 HG21 ' HA ' ' A' ' 64' ' ' GLU . 15.3 pt -109.02 170.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 132.2 53.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 HD12 ' A' ' 34' ' ' ILE . 76.9 t -122.78 114.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -87.18 124.78 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 20' ' ' LYS . 33.1 mt -61.5 160.43 25.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 2.05 7.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -103.44 -11.21 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.96 -32.13 5.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.693 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.18 166.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -124.22 154.76 39.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.6 t -142.13 158.58 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -102.86 128.63 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.48 178.79 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.2 mt-10 -137.14 138.67 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -64.65 128.05 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.554 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.7 m95 60.57 39.79 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -143.59 -67.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.875 ' O ' HD22 ' A' ' 62' ' ' LEU . 86.4 m -101.2 140.16 35.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -111.39 176.32 1.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.816 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -69.88 -31.94 70.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -87.05 -34.85 19.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 30' ' ' THR . 1.6 mt -59.2 -43.63 90.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -71.58 -39.62 70.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -43.91 68.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.94 -39.97 19.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mm -51.38 -76.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 m -167.35 129.82 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -43.37 118.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.99 -47.63 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.496 HD22 ' HB1' ' A' ' 35' ' ' ALA . 3.7 tt -47.19 -50.98 19.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.28 -63.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -44.48 -48.11 10.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.168 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.59 -49.89 75.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.871 HG23 ' HB3' ' A' ' 70' ' ' LEU . 23.1 m -47.08 140.71 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -104.7 -50.02 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.847 HG22 HD12 ' A' ' 71' ' ' LEU . 1.5 mm -152.79 145.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -107.41 136.88 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -98.59 124.69 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.842 HG13 ' SG ' ' A' ' 66' ' ' CYS . 52.2 t -112.62 102.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 3.0 t30 78.23 25.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.4 t-20 80.45 21.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -130.64 139.01 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.81 129.32 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.45 ' CB ' HG23 ' A' ' 51' ' ' VAL . 6.2 t-105 -133.6 124.99 27.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 107.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -64.77 143.12 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -38.66 91.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 49.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -157.54 124.78 2.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 146.08 32.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -61.38 174.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 36.5 mt-10 -109.56 -34.95 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.754 ' HA ' HG21 ' A' ' 12' ' ' ILE . 2.7 pt-20 -170.59 179.46 3.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -47.31 116.06 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.842 ' SG ' HG13 ' A' ' 51' ' ' VAL . 4.4 p -151.92 174.65 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 p -95.28 135.51 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD11 ' HB1' ' A' ' 49' ' ' ALA . 47.6 tp -107.99 134.7 50.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -145.58 111.75 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.871 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.7 OUTLIER -70.63 144.56 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.847 HD12 HG22 ' A' ' 48' ' ' ILE . 83.8 mt -109.66 154.8 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -103.1 -12.73 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.475 ' N ' HG11 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -162.7 146.65 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.05 -178.21 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.22 124.14 28.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.72 112.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.711 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -145.53 -67.59 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 86.53 -45.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' ALA . 6.3 mm-40 -37.76 -51.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.29 89.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 82' ' ' TYR . 10.9 p -150.16 -49.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 8.8 p90 -93.71 127.83 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.73 135.09 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.75 -85.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.29 4.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 t -173.63 -54.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.9 p -148.88 134.09 18.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.55 123.73 16.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -133.87 161.48 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.89 -149.07 19.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.99 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 p -173.54 -59.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.4 83.93 0.64 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -175.27 138.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p -62.32 154.17 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -148.3 158.21 41.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 18.3 Cg_endo -75.03 109.19 2.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.907 HG21 ' HA ' ' A' ' 64' ' ' GLU . 44.2 pt -106.01 173.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 123.65 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 34' ' ' ILE . 62.8 t -112.11 116.85 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 m -87.23 124.93 33.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 20' ' ' LYS . 14.2 mt -63.77 161.33 37.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 2.94 6.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.793 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.06 -15.48 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.24 5.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -56.13 163.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -125.57 150.3 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.04 163.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 131.74 46.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.95 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 14.0 mt-10 -136.97 125.61 23.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.7 p -57.76 132.38 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.5 m95 61.07 30.41 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 4.4 mttm -136.77 -76.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 30' ' ' THR . 69.1 m -76.91 171.77 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.493 ' N ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -135.76 166.78 25.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.508 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.94 -19.76 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.5 t80 -80.93 -32.77 34.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -74.27 -48.85 25.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.497 HD12 HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -43.37 -46.49 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -60.33 3.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.6 -40.55 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.0 -60.55 3.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.3 mt -42.68 -64.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -172.07 134.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.59 115.21 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.52 -34.5 2.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 42' ' ' LEU . 1.4 tt -61.27 -35.94 78.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.11 -11.71 59.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -79.92 -15.6 56.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -118.48 62.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.0 m -146.93 156.57 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG21 ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -121.75 -58.28 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 55' ' ' VAL . 8.2 mm -146.08 132.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.9 138.14 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.8 mttp -101.48 124.3 46.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.893 HG13 ' SG ' ' A' ' 66' ' ' CYS . 44.3 t -109.85 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.9 35.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 71.2 24.43 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.08 138.3 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 48' ' ' ILE . 39.5 t -52.34 130.46 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.464 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.1 t-105 -140.1 124.95 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.01 145.66 55.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.94 35.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' C ' HG22 ' A' ' 30' ' ' THR . 4.2 ttt180 -141.99 133.68 13.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.72 32.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.666 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -62.14 179.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 10.3 mt-10 -114.13 -37.46 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.907 ' HA ' HG21 ' A' ' 12' ' ' ILE . 7.4 pt-20 -177.23 -176.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -41.53 112.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.893 ' SG ' HG13 ' A' ' 51' ' ' VAL . 22.8 p -151.96 -175.2 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 p -111.18 147.41 35.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.544 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 38.3 tp -110.92 138.74 46.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' H ' HD12 ' A' ' 68' ' ' LEU . 20.0 tt0 -151.39 108.35 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 131.28 36.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -84.84 153.12 23.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.58 -30.84 20.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' N ' HG21 ' A' ' 47' ' ' VAL . 6.2 t80 -163.72 155.16 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -144.93 161.68 38.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 76' ' ' GLU . 3.4 t0 -158.38 98.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER 175.45 86.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 62.01 155.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' GLN . . . -93.97 -73.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ALA . 4.0 pt20 38.53 80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.253 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 40.9 73.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 81' ' ' VAL . 2.4 p -98.32 6.47 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -164.25 173.13 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -97.11 -54.39 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.18 169.3 18.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 67.14 6.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.57 -91.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -113.11 128.08 56.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 t -93.51 106.59 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.69 86.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.14 123.31 7.83 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -88.66 159.6 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 m -94.62 -61.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.44 131.06 3.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -170.2 160.49 7.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.4 t -100.31 141.73 32.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -135.87 173.76 5.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.671 HG21 ' HA ' ' A' ' 64' ' ' GLU . 17.4 pt -113.0 163.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 122.01 41.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.38 113.19 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.5 m -87.63 124.77 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 5.0 mt -64.43 162.03 37.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 3.08 5.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.6 -17.37 17.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.05 -32.15 5.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.61 170.1 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -126.62 159.18 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 23' ' ' ASP . 45.1 t -141.25 165.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' N ' HG12 ' A' ' 22' ' ' VAL . 2.3 m-20 -104.66 122.82 46.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -137.92 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' CA ' HG12 ' A' ' 12' ' ' ILE . 26.6 mt-10 -136.83 139.3 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 9' ' ' SER . 16.0 p -60.16 128.87 38.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 19.0 m95 60.29 36.02 20.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 4.2 mttm -134.26 -73.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.578 ' O ' HD22 ' A' ' 62' ' ' LEU . 67.3 m -86.78 168.78 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.632 HG22 ' HA ' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -132.17 167.33 22.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.586 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.04 -20.02 17.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -80.77 -33.06 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -74.08 -47.88 33.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -43.8 -54.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 38' ' ' ILE . . . -60.42 -60.88 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.47 -58.14 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.28 -37.86 3.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ALA . 54.9 mt -76.5 -58.47 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -145.68 133.91 21.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.84 109.09 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . 152.67 -73.72 0.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 pp -42.01 -40.49 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.82 -49.87 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' GLY . 4.8 t0 -50.12 -41.52 48.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -102.41 82.37 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.84 HG21 HD12 ' A' ' 70' ' ' LEU . 1.2 m -158.94 104.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.763 HG11 ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -39.84 -89.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.825 HG21 HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -137.71 151.33 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.796 ' HB2' HD13 ' A' ' 70' ' ' LEU . . . -96.47 145.03 26.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -98.63 130.08 45.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.831 HG13 ' SG ' ' A' ' 66' ' ' CYS . 37.1 t -117.42 107.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.1 t30 75.67 22.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.9 t-20 82.54 20.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -131.38 138.56 52.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.825 HG13 HG21 ' A' ' 48' ' ' ILE . 55.2 t -46.87 136.82 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 3.9 t-105 -145.94 127.48 15.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -66.35 143.08 57.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -70.27 -13.26 62.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.82 -30.36 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -77.59 126.29 84.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.01 147.01 33.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.56 175.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.4 mt-10 -117.29 -37.71 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.671 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.9 pt-20 -173.5 -178.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -40.81 109.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.831 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.8 p -152.17 -176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -102.13 172.17 7.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.397 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 31' ' ' PRO . 13.0 tp -138.55 125.65 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.6 tt0 -144.16 111.26 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.84 HD12 HG21 ' A' ' 46' ' ' THR . 1.1 mm? -82.23 126.94 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -81.61 154.13 26.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -92.63 -24.02 18.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.763 ' HA ' HG11 ' A' ' 47' ' ' VAL . 6.4 t80 166.38 140.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -100.45 167.21 10.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -151.83 76.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -144.81 -60.23 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -139.15 -178.52 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.25 -178.39 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.467 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.3 mm-40 61.95 120.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . 69.98 49.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.97 -61.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -129.61 120.06 24.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.9 p -83.46 169.61 15.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.4 -141.51 3.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.66 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.3 t -169.73 99.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -93.47 114.89 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 p -94.43 120.53 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.32 99.5 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.94 155.7 24.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.96 119.98 16.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -82.19 101.17 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 156.08 26.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -169.25 133.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t -78.72 140.0 38.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HE2' HG22 ' A' ' 12' ' ' ILE . 3.9 pttt -139.52 159.02 67.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 110.32 3.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.879 HG21 ' HA ' ' A' ' 64' ' ' GLU . 22.4 pt -105.62 170.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 121.68 39.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG11 HD12 ' A' ' 34' ' ' ILE . 54.5 t -115.33 121.42 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.2 m -93.54 133.54 36.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 88.0 mt -71.12 161.81 76.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.641 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 2.93 6.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -103.53 -14.5 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 -31.99 5.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 168.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.743 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -131.1 149.63 52.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 t -137.85 158.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -101.32 124.43 47.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -133.73 179.14 6.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 23.8 mt-10 -134.9 133.72 39.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -63.44 120.94 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 7.6 m95 72.74 36.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.24 -61.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.828 ' O ' HD22 ' A' ' 62' ' ' LEU . 69.9 m -99.39 148.09 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.64 174.58 2.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.646 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.1 Cg_endo -74.97 -21.3 16.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -73.77 -31.27 63.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -78.62 -53.7 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.449 HD12 HG11 ' A' ' 14' ' ' VAL . 1.1 mt -42.8 -60.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.31 74.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -20.38 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.45 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -99.5 34.42 5.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.558 HG21 HD13 ' A' ' 42' ' ' LEU . 19.5 mm -122.84 -74.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -160.66 138.53 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.75 108.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.38 -22.85 4.37 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.558 HD13 HG21 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -68.6 -70.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.79 -31.07 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -46.93 88.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -87.61 52.38 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.849 HG23 ' HB3' ' A' ' 70' ' ' LEU . 85.9 m -128.62 130.15 46.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -98.84 -50.31 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.507 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 20.7 mm -148.35 143.05 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -104.15 131.85 51.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -98.36 138.03 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.888 HG13 ' SG ' ' A' ' 66' ' ' CYS . 37.7 t -125.23 100.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.2 t-20 76.35 25.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 34.8 t30 81.88 19.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.88 128.49 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -44.67 134.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ALA . 6.1 t-105 -140.54 134.03 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.21 143.68 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -87.89 45.51 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -155.3 130.47 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.44 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 11.6 mt-10 -116.03 -34.39 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HA ' HG21 ' A' ' 12' ' ' ILE . 16.2 pt-20 -178.29 179.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -40.09 109.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.888 ' SG ' HG13 ' A' ' 51' ' ' VAL . 23.5 p -152.2 170.79 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 p -93.42 149.66 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD13 ' HB3' ' A' ' 31' ' ' PRO . 30.7 tp -116.23 131.94 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.73 122.88 12.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.849 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.8 OUTLIER -86.88 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' CB ' HG12 ' A' ' 47' ' ' VAL . 2.6 mp -99.59 154.93 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -22.18 15.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.536 ' HA ' HG21 ' A' ' 47' ' ' VAL . 35.1 t80 -175.09 134.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' HG3' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -148.55 48.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.21 104.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.97 108.75 21.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 9.3 pt-20 -148.0 -54.5 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 77' ' ' GLU . . . 179.62 -171.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 67.63 -75.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.51 91.22 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG23 ' H ' ' A' ' 82' ' ' TYR . 13.7 m -130.5 -55.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.488 ' H ' HG23 ' A' ' 81' ' ' VAL . 49.1 m-85 -146.94 176.36 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -84.37 104.4 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -154.76 -155.32 7.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.38 4.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 p -171.87 128.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.7 m 56.64 98.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.97 160.1 35.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -136.31 -58.48 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.21 -173.11 34.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 p -112.84 141.58 46.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -164.78 99.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.84 101.97 0.53 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.21 156.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 t -91.11 162.04 14.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 157.94 64.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.433 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 18.2 Cg_endo -75.05 111.66 3.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.898 HG21 ' HA ' ' A' ' 64' ' ' GLU . 12.3 pt -109.54 164.68 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.48 125.91 54.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 34' ' ' ILE . 53.5 t -117.82 111.85 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -85.12 128.49 34.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' CD2' HD11 ' A' ' 38' ' ' ILE . 20.5 mt -66.43 161.09 61.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 3.17 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -102.93 -14.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.61 -32.24 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD12 ' A' ' 16' ' ' LEU . 1.3 mmmt -56.3 165.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.76 153.03 44.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.36 161.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.38 128.46 45.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -135.61 174.55 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 11' ' ' PRO . 1.5 mm-40 -134.44 137.04 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.5 p -64.69 130.9 45.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 59.53 34.1 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 107.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -138.58 -62.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.596 ' O ' HD22 ' A' ' 62' ' ' LEU . 52.8 m -99.08 158.15 15.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.7 p -127.86 172.77 6.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.696 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -74.94 -19.23 18.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.9 t80 -75.05 -34.38 61.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -76.5 -47.87 21.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 38' ' ' ILE . 1.1 mt -49.86 -62.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 38' ' ' ILE . . . -47.5 -46.76 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.8 t -57.23 -52.8 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.28 -60.91 1.06 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 34' ' ' ILE . 3.7 mp -40.21 -66.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -157.57 123.0 4.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -51.72 116.02 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.26 -50.5 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.09 -54.8 18.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.18 -52.02 65.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -29.6 24.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -117.27 73.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.846 HG21 HD12 ' A' ' 70' ' ' LEU . 19.0 m -139.38 115.95 10.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.765 HG21 ' N ' ' A' ' 73' ' ' PHE . 3.9 t -61.85 -73.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 48' ' ' ILE . 18.8 mm -143.84 135.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.11 132.35 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HD2' HD21 ' A' ' 71' ' ' LEU . 32.7 mttp -99.45 132.14 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.818 HG13 ' SG ' ' A' ' 66' ' ' CYS . 39.9 t -117.59 102.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.1 t30 78.1 28.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.3 t30 77.74 21.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.12 134.62 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -47.54 134.34 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -139.97 145.9 38.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 4.9 m-20 -80.11 151.32 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -76.17 -28.79 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.19 -31.41 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 12.2 ttt85 -76.7 123.24 87.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.642 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -50.41 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.7 mt-10 -115.48 -39.06 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.898 ' HA ' HG21 ' A' ' 12' ' ' ILE . 13.0 pt-20 -169.26 -177.51 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -43.59 110.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.818 ' SG ' HG13 ' A' ' 51' ' ' VAL . 9.7 p -152.18 173.47 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 p -100.21 144.86 28.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 31' ' ' PRO . 26.1 tp -108.35 132.24 53.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.99 120.15 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.846 HD12 HG21 ' A' ' 46' ' ' THR . 1.2 mm? -90.53 120.93 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.47 HD21 ' HD2' ' A' ' 50' ' ' LYS . 29.5 mt -85.45 154.21 21.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' C ' HG21 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -107.73 22.19 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.765 ' N ' HG21 ' A' ' 47' ' ' VAL . 7.9 t80 177.58 151.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' N ' HG11 ' A' ' 47' ' ' VAL . 3.8 mt-10 -64.65 118.89 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -108.53 -6.92 15.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 176.82 68.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.26 140.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.48 -56.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.75 123.2 25.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 61.44 105.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 82' ' ' TYR . 9.9 p -165.6 -50.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.478 ' N ' HG13 ' A' ' 81' ' ' VAL . 67.9 m-85 -54.32 -54.26 42.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.4 -58.0 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.23 -145.01 17.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 132.71 15.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.2 t -81.86 126.38 31.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.1 p -124.37 142.48 51.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -108.45 -59.0 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m 63.35 83.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 110.065 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.24 137.56 13.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -77.6 -62.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.037 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.39 -58.64 7.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.98 169.14 25.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.55 137.18 41.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p -75.51 177.98 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 158.09 21.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.728 HG21 ' HA ' ' A' ' 64' ' ' GLU . 27.6 pt -108.62 168.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 129.39 54.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.588 HG11 HD12 ' A' ' 34' ' ' ILE . 46.1 t -121.0 112.94 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -85.59 130.33 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 20' ' ' LYS . 74.3 mt -66.82 160.84 66.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -104.3 -12.01 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.36 -32.14 5.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -53.2 162.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 0.803 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -122.11 147.5 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 23' ' ' ASP . 62.0 t -131.59 166.55 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.7 m-20 -117.08 123.3 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.87 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -139.78 179.31 6.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 20.6 mt-10 -132.15 142.71 49.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 p -61.39 137.1 58.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 21.1 m95 56.66 21.55 5.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 3.0 mttm -120.44 -78.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.87 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 98.3 m -81.03 162.09 23.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -126.81 168.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.99 -20.19 17.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.8 t80 -79.7 -35.11 39.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ILE . 11.1 mt-30 -71.41 -51.28 24.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.588 HD12 HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -40.3 -66.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -41.68 -64.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.07 -43.67 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 108.284 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.16 -59.54 5.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD13 HD13 ' A' ' 42' ' ' LEU . 2.9 mp -41.47 -73.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 t -163.25 142.01 8.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 107.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.11 -35.82 1.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 38' ' ' ILE . 1.2 tt -64.06 -50.67 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.65 72.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.84 -31.39 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -106.2 65.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.889 HG23 ' HB3' ' A' ' 70' ' ' LEU . 17.4 m -139.81 138.72 36.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -114.5 -49.61 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.746 HD11 HG22 ' A' ' 81' ' ' VAL . 15.0 mm -149.9 130.56 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -94.15 133.32 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 14.3 mttp -98.72 132.54 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.875 HG13 ' SG ' ' A' ' 66' ' ' CYS . 50.0 t -120.16 97.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 79.18 35.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.08 23.21 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -131.45 132.54 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -47.81 132.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.5 ' CG ' HG21 ' A' ' 51' ' ' VAL . 6.6 t-105 -136.1 150.66 49.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 36.9 m-20 -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -82.85 -18.99 38.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.45 -18.1 22.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 21.6 ttt180 -90.3 127.54 52.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.597 ' HA ' HG22 ' A' ' 30' ' ' THR . 18.3 Cg_endo -74.95 146.96 33.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.637 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.98 173.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -113.19 -38.7 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.728 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -170.14 -177.29 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.7 113.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.875 ' SG ' HG13 ' A' ' 51' ' ' VAL . 6.9 p -152.09 -176.88 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.3 p -98.34 170.4 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 31' ' ' PRO . 36.7 tp -141.16 124.19 16.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -139.82 109.45 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.889 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.9 OUTLIER -75.5 125.48 29.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CB ' HG12 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -89.55 154.22 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.32 -30.65 15.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.624 ' HA ' HG21 ' A' ' 47' ' ' VAL . 46.1 t80 -174.18 134.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.4 163.09 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -172.24 94.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -179.3 -76.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.673 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -110.27 -57.97 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 82.01 -58.85 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 65.26 -74.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -133.69 74.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.746 HG22 HD11 ' A' ' 48' ' ' ILE . 46.0 t -127.63 -70.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.649 ' CD1' ' N ' ' A' ' 83' ' ' SER . 22.7 p90 -49.83 -38.44 34.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.649 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 2.7 m 48.19 94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.63 111.5 4.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.9 m 63.67 146.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.05 84.93 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -90.03 127.11 35.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -114.47 -58.19 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.18 94.82 1.89 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.435 1.084 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -156.73 -59.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.984 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -131.07 153.77 48.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.7 120.01 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -45.27 159.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p -61.8 175.88 0.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.945 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 2.2 pttm -164.71 158.7 15.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.28 2.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.597 HG13 ' HB3' ' A' ' 24' ' ' ALA . 26.5 pt -105.55 156.79 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -110.29 136.34 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG11 HD13 ' A' ' 34' ' ' ILE . 51.3 t -131.25 116.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m -90.85 125.03 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' A' ' 20' ' ' LYS . 36.4 mt -60.1 160.09 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.0 1.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -103.22 -11.6 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.7 -32.2 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.775 ' HB3' HD12 ' A' ' 16' ' ' LEU . 5.9 mtmm -54.74 164.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 0.779 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -121.39 154.56 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 23' ' ' ASP . 45.6 t -143.31 161.07 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -103.44 133.1 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -137.63 171.08 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 34.8 mt-10 -134.11 131.52 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -57.3 134.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.9 m95 51.24 40.58 26.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 9.0 mmmt -142.16 -74.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.55 ' O ' HD22 ' A' ' 62' ' ' LEU . 54.4 m -94.29 153.86 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.465 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -122.4 179.72 0.94 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.648 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -30.4 7.17 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.514 1.797 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.524 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -66.09 -47.33 74.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -71.61 -25.79 62.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 HG11 ' A' ' 14' ' ' VAL . 12.3 mt -63.42 -60.04 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -49.32 -58.19 5.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . 11.9 t -41.95 -42.49 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.66 -59.01 3.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.12 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 35' ' ' ALA . 2.7 mp -44.13 -75.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.2 t -154.27 133.23 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.26 113.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.34 -50.09 0.6 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.24 -51.37 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.71 -49.52 67.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -45.77 -53.22 9.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -91.54 80.37 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.636 HG23 ' HB3' ' A' ' 70' ' ' LEU . 57.2 m -148.3 126.78 12.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.712 HG11 ' C ' ' A' ' 73' ' ' PHE . 36.5 t -86.9 -73.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.611 HG21 HG13 ' A' ' 55' ' ' VAL . 6.4 mm -141.91 137.03 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -97.79 137.56 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -98.9 138.57 35.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.919 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.7 t -123.97 97.95 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER 80.12 30.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 76.25 20.88 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.69 130.08 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 48' ' ' ILE . 28.6 t -44.64 138.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.507 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -141.81 133.02 26.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -71.35 139.29 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.2 mt -65.44 -31.73 72.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -89.11 46.04 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -157.3 129.69 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.43 32.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.616 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -57.79 -177.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -117.71 -36.38 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.1 pt-20 -172.78 175.68 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.01 115.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.919 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.7 p -152.07 -176.17 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 p -107.69 143.35 36.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 31' ' ' PRO . 62.3 tp -107.96 137.93 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -153.68 106.86 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.668 HD22 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -74.88 138.49 42.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ILE . 1.6 mp -97.23 147.95 23.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.555 ' C ' HG21 ' A' ' 47' ' ' VAL . 1.2 ttmt -102.62 18.41 21.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.712 ' C ' HG11 ' A' ' 47' ' ' VAL . 5.0 t80 -178.88 144.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.613 ' N ' HG11 ' A' ' 47' ' ' VAL . 2.2 mt-10 -75.63 148.67 38.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.91 111.97 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.21 104.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' HG21 ' A' ' 55' ' ' VAL . 12.0 pt-20 -144.16 172.82 12.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.91 68.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -154.43 -58.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.53 97.8 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 81' ' ' VAL . 12.8 p -146.73 114.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.24 137.35 8.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.4 p -172.78 120.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.26 117.49 4.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 98.32 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.71 126.13 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.5 t -80.94 143.73 32.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.17 123.76 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 p -136.69 169.35 17.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.28 -116.98 0.5 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.054 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.94 119.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.794 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p 176.98 150.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.38 77.73 0.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -178.42 139.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 p -66.63 158.67 29.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -156.19 157.96 31.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 109.97 3.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.924 HG21 ' HA ' ' A' ' 64' ' ' GLU . 11.3 pt -108.13 169.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.32 133.89 55.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 44.7 t -126.31 117.39 48.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -86.59 138.39 31.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.967 HD12 ' HB3' ' A' ' 20' ' ' LYS . 68.7 mt -74.48 161.41 78.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.05 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -108.9 -3.78 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.64 -32.08 6.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.967 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.21 167.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -134.12 151.79 51.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.5 t -144.56 161.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.83 131.62 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.28 179.06 6.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 38.2 mt-10 -137.22 135.98 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 p -65.52 125.87 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.567 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 64.24 34.59 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.28 -63.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.822 ' O ' HD22 ' A' ' 62' ' ' LEU . 93.5 m -98.88 150.05 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -118.93 174.96 2.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.02 -26.8 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.7 t80 -69.3 -37.36 77.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 mt-30 -71.68 -54.02 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -40.27 -65.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.18 -49.44 9.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.13 -61.14 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.51 -55.14 2.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.747 HD11 HD21 ' A' ' 16' ' ' LEU . 1.3 mp -45.99 -65.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -147.21 136.04 22.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.16 109.06 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.76 -34.0 2.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tt -54.28 -41.81 69.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.03 -64.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -42.01 -41.44 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -90.44 64.31 5.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.4 m -137.55 137.81 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.866 HG21 ' N ' ' A' ' 73' ' ' PHE . 3.4 t -93.48 -64.92 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HA ' HD13 ' A' ' 48' ' ' ILE . 13.6 mm -149.45 137.49 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -103.62 136.63 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -99.28 136.55 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.895 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.7 t -123.47 98.8 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.3 t-20 81.83 24.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.9 t-20 81.72 19.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.1 134.09 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 t -46.32 137.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.8 t-105 -142.8 128.57 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.2 147.17 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.2 mt -71.09 -36.47 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.91 47.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 30' ' ' THR . 8.2 ttt180 -155.27 129.68 4.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.58 35.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.822 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -60.76 178.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 6.6 mt-10 -111.2 -34.92 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.924 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.4 pt-20 -177.9 -179.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.81 112.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.895 ' SG ' HG13 ' A' ' 51' ' ' VAL . 23.5 p -152.14 179.18 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.0 p -103.29 144.82 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 31' ' ' PRO . 62.0 tp -110.6 136.16 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -150.16 116.57 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 129.14 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.54 153.84 20.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -110.95 125.52 53.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.866 ' N ' HG21 ' A' ' 47' ' ' VAL . 6.7 m-85 28.13 55.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' H ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -35.51 149.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.66 100.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.74 -62.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 2.6 tt0 -128.32 -44.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 78.13 -58.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 62.96 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -124.77 113.32 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.3 p -159.73 162.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -52.15 140.76 20.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.82 79.87 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.71 -73.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.48 5.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.81 142.28 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.8 t -162.67 143.9 10.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.54 113.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m 62.62 168.96 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.85 -109.03 2.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.09 -58.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.84 143.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.06 173.8 20.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 63.79 105.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p -71.44 -177.83 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -166.02 158.53 12.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.412 ' CA ' ' OE2' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.97 110.61 3.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.643 HG21 ' HA ' ' A' ' 64' ' ' GLU . 42.8 pt -106.89 171.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.89 135.08 49.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -128.88 119.38 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.7 m -88.44 124.93 34.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 20' ' ' LYS . 10.0 mt -63.8 161.2 39.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.0 2.88 6.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -101.32 -15.64 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.84 -31.44 5.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.642 ' HG2' HD12 ' A' ' 16' ' ' LEU . 23.0 tttt -60.75 154.93 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -108.99 152.5 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 23' ' ' ASP . 86.2 t -131.84 165.94 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 22' ' ' VAL . 22.6 m-20 -114.65 126.61 55.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.546 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -140.88 178.27 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.6 mm-40 -134.94 141.89 46.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -62.02 130.36 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 58.0 41.33 24.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -142.36 -71.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.553 ' O ' HD22 ' A' ' 62' ' ' LEU . 52.5 m -97.42 152.5 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.465 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -121.48 -179.8 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.98 -28.78 8.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 3.3 t80 -66.88 -51.22 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.41 -30.83 70.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.602 HG21 ' CD2' ' A' ' 68' ' ' LEU . 6.6 mt -56.72 -43.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.2 -44.98 43.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -43.71 -46.02 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.315 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.69 -45.78 12.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 39' ' ' SER . 56.4 mt -68.81 166.73 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.519 ' N ' HG22 ' A' ' 38' ' ' ILE . 70.6 m -41.47 137.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.59 125.04 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.21 -17.14 6.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -72.21 -38.46 69.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.96 -45.28 15.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -48.1 -31.62 5.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -96.35 46.06 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.717 HG23 ' HB3' ' A' ' 70' ' ' LEU . 7.4 m -127.12 135.22 50.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -110.75 -48.94 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 48' ' ' ILE . 14.4 mm -151.17 131.93 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -96.23 131.49 42.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 13.9 mttp -99.13 128.4 45.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.919 HG13 ' SG ' ' A' ' 66' ' ' CYS . 48.0 t -115.16 99.98 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.11 34.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.46 21.79 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.358 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -131.24 133.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.2 t -47.44 136.94 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.468 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -143.09 133.35 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -70.26 145.07 51.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.0 mt -70.29 -31.09 68.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -90.36 39.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -148.65 128.09 6.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.9 33.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.598 HD13 ' N ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.52 -178.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -115.32 -33.35 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.643 ' HA ' HG21 ' A' ' 12' ' ' ILE . 11.0 pt-20 -175.31 177.75 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -41.16 113.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.919 ' SG ' HG13 ' A' ' 51' ' ' VAL . 25.4 p -151.83 179.68 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 p -100.34 155.03 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.602 ' CD2' HG21 ' A' ' 34' ' ' ILE . 45.5 tp -124.87 133.77 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -144.02 110.99 5.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.717 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -76.41 124.49 27.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.671 HD23 ' HG3' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -88.36 154.28 20.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -91.78 -33.81 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.689 ' HA ' HG21 ' A' ' 47' ' ' VAL . 85.6 t80 -170.27 126.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.671 ' HG3' HD23 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -142.71 158.41 43.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.31 82.09 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -147.83 135.73 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.46 163.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.63 -47.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -90.97 31.94 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -172.01 44.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 m -110.99 -33.48 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 39.14 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -54.81 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -152.66 168.49 31.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.67 10.13 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.8 t -78.19 -47.31 18.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.0 m 53.94 99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -85.43 150.17 24.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 m -117.73 165.35 13.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.15 172.56 21.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.61 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -81.29 140.02 35.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.53 -74.22 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.96 105.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 2.6 t 52.88 176.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -169.07 157.64 7.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.713 HG21 ' HA ' ' A' ' 64' ' ' GLU . 15.6 pt -111.24 167.24 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -115.81 137.43 52.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 60.4 t -131.6 119.81 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -91.33 144.97 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.917 HD12 ' HB3' ' A' ' 20' ' ' LYS . 39.4 mt -80.59 162.38 60.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 1.43 7.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.41 -13.26 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 -32.02 5.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.917 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.26 159.12 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -123.15 151.59 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 t -141.62 160.57 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.26 132.38 46.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -138.55 177.84 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 28' ' ' LYS . 2.1 mp0 -137.14 135.52 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 p -59.57 135.29 57.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CZ2' ' OE2' ' A' ' 63' ' ' GLU . 8.5 m95 51.88 37.65 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -139.15 -64.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' HD22 ' A' ' 62' ' ' LEU . 92.6 m -99.4 155.54 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 2.0 p -125.2 173.32 5.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.755 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.01 -19.95 17.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.811 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.0 t80 -74.16 -36.11 64.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ILE . 8.1 mt-30 -74.27 -54.15 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -40.62 -63.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 38' ' ' ILE . . . -44.36 -47.51 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -54.84 35.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.71 -53.81 1.87 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.744 HD11 HD21 ' A' ' 16' ' ' LEU . 2.4 mp -44.51 -75.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.426 0.721 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.2 132.87 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -56.28 112.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.86 -39.3 1.58 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -52.63 54.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.2 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -71.05 -36.99 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.64 68.54 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m -128.97 148.73 50.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.803 HG21 ' H ' ' A' ' 73' ' ' PHE . 5.0 t -116.3 -70.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mm -144.33 124.61 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.02 133.31 35.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -98.79 132.95 43.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.89 HG13 ' SG ' ' A' ' 66' ' ' CYS . 53.5 t -120.02 100.31 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 80.01 29.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.6 t30 75.7 22.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.27 135.89 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.403 HG11 ' HB1' ' A' ' 80' ' ' ALA . 41.2 t -48.14 131.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.574 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.9 t-105 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 70.2 m-20 -85.72 151.2 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 2.1 mt -76.39 -27.58 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.83 -22.25 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 2.1 ttt180 -86.33 124.43 69.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 147.31 33.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.75 175.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' OE2' ' CZ2' ' A' ' 27' ' ' TRP . 3.2 mt-10 -113.83 -39.3 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.713 ' HA ' HG21 ' A' ' 12' ' ' ILE . 12.3 pt-20 -173.11 -178.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' GLU . 2.8 p-10 -40.23 110.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.89 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.7 p -152.11 177.49 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 p -102.3 145.09 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 31' ' ' PRO . 30.3 tp -113.34 139.14 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -150.3 125.05 9.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.41 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -92.5 118.04 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 153.88 34.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -109.13 116.06 31.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.803 ' H ' HG21 ' A' ' 47' ' ' VAL . 1.7 t80 56.94 123.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' N ' HG11 ' A' ' 47' ' ' VAL . 46.5 mt-10 -41.45 158.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -151.98 95.67 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 50.72 81.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -158.97 157.5 31.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.18 -60.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -58.05 -58.59 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' HB1' HG11 ' A' ' 55' ' ' VAL . . . -84.52 73.87 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 82' ' ' TYR . 7.8 p -116.74 -48.95 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.44 ' N ' HG13 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -151.12 -49.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 m 62.02 162.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.6 -171.28 23.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.76 42.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.1 t -57.12 109.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -142.77 139.93 31.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p 42.11 85.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -151.39 -58.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.4 -146.17 17.16 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.61 130.22 12.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -163.05 140.3 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.01 134.07 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.66 166.19 11.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p -53.14 167.15 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -164.08 163.81 15.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 112.55 3.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.7 HG21 ' HA ' ' A' ' 64' ' ' GLU . 26.2 pt -106.59 162.45 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -113.17 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.76 114.6 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 m -89.52 128.84 36.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 ' CB ' ' A' ' 20' ' ' LYS . 46.9 mt -64.18 160.19 50.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.05 1.58 7.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.541 1.811 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.53 -5.63 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.98 -32.04 6.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.698 ' CB ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.6 166.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.85 152.08 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 23' ' ' ASP . 58.5 t -141.24 163.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' N ' HG12 ' A' ' 22' ' ' VAL . 11.2 p-10 -104.61 131.44 52.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.85 175.74 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 34.0 mt-10 -137.27 133.03 34.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 p -58.33 128.98 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.4 m95 58.48 41.17 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -143.06 -65.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.793 ' O ' HD22 ' A' ' 62' ' ' LEU . 91.7 m -98.8 154.55 17.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.13 173.89 4.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.94 -21.56 15.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.0 t80 -73.83 -33.82 64.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ILE . 26.9 mt-30 -77.21 -53.15 8.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -40.02 -46.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -65.8 -53.69 36.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.1 -45.66 52.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.7 -60.46 1.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.1 mt -40.47 -62.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.2 147.74 25.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.83 122.79 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.64 -35.44 4.31 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.8 tt -50.63 -34.39 25.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.64 78.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -53.48 -37.54 62.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -165.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.551 HG23 ' HB3' ' A' ' 70' ' ' LEU . 73.8 m 64.16 171.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.64 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -128.32 -50.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.508 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 20.8 mm -149.15 129.07 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . . . -92.08 131.41 37.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 53' ' ' ASN . 16.3 mttm -98.95 142.27 30.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.834 HG13 ' SG ' ' A' ' 66' ' ' CYS . 54.8 t -128.35 99.25 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 80.72 29.67 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.6 OUTLIER 76.63 20.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -130.53 132.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.498 HG13 ' CG2' ' A' ' 48' ' ' ILE . 49.6 t -46.8 134.5 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.49 ' CB ' HG23 ' A' ' 51' ' ' VAL . 5.7 t-105 -139.92 124.99 18.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.49 142.77 58.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.411 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -64.29 -40.18 95.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -83.98 51.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.54 127.78 3.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.12 33.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.793 HD22 ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -58.62 -177.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 57.4 mt-10 -117.77 -35.73 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.7 ' HA ' HG21 ' A' ' 12' ' ' ILE . 5.7 pt-20 -175.94 -179.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -40.8 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.834 ' SG ' HG13 ' A' ' 51' ' ' VAL . 9.1 p -152.18 174.28 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 p -94.99 161.29 14.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 31' ' ' PRO . 36.3 tp -127.18 128.39 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -139.63 121.57 15.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -89.09 129.16 35.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' CB ' HG12 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -95.58 154.34 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.82 -28.42 14.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' HA ' HG21 ' A' ' 47' ' ' VAL . 61.4 t80 -174.01 134.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.52 177.73 4.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.29 88.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.2 -59.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -129.3 171.64 12.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.338 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -124.68 80.91 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -162.85 -59.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.39 90.11 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.46 145.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 47.82 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.61 115.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.43 179.53 53.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.44 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.6 p -53.25 118.23 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.35 144.29 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 158.19 18.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 110.12 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.778 HG21 ' HA ' ' A' ' 64' ' ' GLU . 19.0 pt -106.39 173.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 135.28 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.446 HG11 HD12 ' A' ' 34' ' ' ILE . 44.6 t -125.26 117.38 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -89.17 126.89 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.004 HD12 ' HB3' ' A' ' 20' ' ' LYS . 79.3 mt -62.82 160.33 37.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.79 7.36 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -105.18 -9.54 17.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.4 -32.09 5.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.546 1.153 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 1.004 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.97 160.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -123.56 148.51 46.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 23' ' ' ASP . 6.5 t -139.08 166.6 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -106.59 134.49 49.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.61 179.34 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -136.76 137.34 39.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -63.09 129.93 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 10.2 m95 56.13 38.14 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -141.0 -56.94 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.708 ' O ' HD22 ' A' ' 62' ' ' LEU . 89.1 m -106.87 152.88 23.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -123.25 174.36 3.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.643 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.97 -20.49 16.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.1 t80 -73.68 -36.04 65.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -74.69 -51.43 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.446 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.563 HG21 HG13 ' A' ' 55' ' ' VAL . 12.1 mm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.78 136.23 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -98.99 125.64 44.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.829 HG13 ' SG ' ' A' ' 66' ' ' CYS . 54.5 t -112.36 100.58 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 79.85 29.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 75.62 23.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -130.84 139.19 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG13 HG21 ' A' ' 48' ' ' ILE . 37.2 t -52.38 129.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -134.09 147.85 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 2.8 m-20 -85.28 144.41 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -70.74 -29.23 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.47 -15.13 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.8 ttt85 -93.72 125.16 54.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.31 33.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.45 177.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.3 mt-10 -116.42 -36.31 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.778 ' HA ' HG21 ' A' ' 12' ' ' ILE . 14.6 pt-20 -175.44 -177.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -40.48 110.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.829 ' SG ' HG13 ' A' ' 51' ' ' VAL . 10.4 p -152.08 178.41 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -106.67 143.94 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 31' ' ' PRO . 21.8 tp -108.02 136.63 47.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' H ' HD12 ' A' ' 68' ' ' LEU . 13.1 tt0 -146.25 113.0 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.26 134.14 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 8.7 pttt -165.17 157.74 13.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.829 HG21 ' HA ' ' A' ' 64' ' ' GLU . 14.2 pt -104.1 166.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.1 136.0 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -129.84 115.61 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 20' ' ' LYS . 2.9 m -87.13 137.77 32.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.981 HD12 ' HB3' ' A' ' 20' ' ' LYS . 40.0 mt -72.97 161.17 80.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.94 1.41 7.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -103.8 -7.37 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.93 21.34 12.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.981 ' HB3' HD12 ' A' ' 16' ' ' LEU . 1.5 mttt -99.42 167.89 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.12 146.69 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.3 t -142.16 157.78 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -103.77 128.95 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -139.89 178.06 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.2 mt-10 -137.39 134.45 35.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -59.85 130.14 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 59.14 34.97 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 11.0 mttm -138.23 -67.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.776 ' O ' HD22 ' A' ' 62' ' ' LEU . 75.3 m -96.52 153.22 17.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.24 175.1 2.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.49 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.01 -29.41 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.799 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 9.8 t80 -66.56 -32.39 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ILE . 29.2 mt-30 -77.07 -55.94 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.618 HG21 HG13 ' A' ' 55' ' ' VAL . 6.2 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -91.1 135.74 33.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.1 mttp -99.3 126.34 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.833 HG13 ' SG ' ' A' ' 66' ' ' CYS . 55.0 t -112.23 100.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.2 t-20 80.01 32.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.57 22.71 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.16 141.77 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.618 HG13 HG21 ' A' ' 48' ' ' ILE . 30.0 t -54.39 133.34 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.7 t-105 -140.06 124.89 18.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.16 143.18 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 4.5 mt -67.37 -37.32 82.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -86.52 49.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -155.84 128.69 4.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.07 33.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.89 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.0 mt-10 -118.27 -37.29 3.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.829 ' HA ' HG21 ' A' ' 12' ' ' ILE . 7.2 pt-20 -170.11 178.27 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.08 114.62 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.833 ' SG ' HG13 ' A' ' 51' ' ' VAL . 5.9 p -151.95 179.36 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 p -104.99 145.42 30.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' A' ' 31' ' ' PRO . 22.7 tp -109.02 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -142.64 108.35 5.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.93 130.36 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -155.17 175.41 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -75.06 117.96 5.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.613 HG21 ' HA ' ' A' ' 64' ' ' GLU . 18.5 pt -119.41 156.57 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -110.23 137.58 47.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG11 HD12 ' A' ' 34' ' ' ILE . 14.9 t -133.09 118.75 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 20' ' ' LYS . 8.1 m -88.88 147.2 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 20' ' ' LYS . 35.7 mt -83.74 162.68 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.49 7.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -106.57 -12.76 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.65 -31.72 5.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.662 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -48.88 167.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.47 136.95 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 23' ' ' ASP . 18.0 t -128.72 164.14 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -105.42 136.99 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -141.19 176.62 8.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.4 mt-10 -132.15 134.92 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 9' ' ' SER . 11.0 p -57.62 130.7 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.453 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 11.7 m95 54.19 40.32 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -139.66 -63.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.764 ' O ' HD22 ' A' ' 62' ' ' LEU . 95.2 m -101.73 150.91 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.401 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.09 175.77 2.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.631 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.06 -20.04 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -73.0 -41.82 63.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ILE . 25.1 mt-30 -69.25 -53.87 17.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 HG11 ' A' ' 14' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.561 HG22 HD22 ' A' ' 71' ' ' LEU . 6.9 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -98.27 132.79 43.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 17.3 mttp -98.76 143.81 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.824 HG13 ' SG ' ' A' ' 66' ' ' CYS . 55.8 t -131.53 98.05 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.9 t-20 83.14 23.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.2 t30 82.03 20.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.53 133.67 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -45.5 132.96 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.51 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.93 148.93 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 107.98 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 39.0 m-20 -83.66 157.8 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -83.01 -29.64 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.42 -15.8 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -93.16 123.17 61.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 147.31 34.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.95 173.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 3.0 mt-10 -110.53 -38.21 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HA ' HG21 ' A' ' 12' ' ' ILE . 2.6 pt-20 -171.43 -167.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -50.43 109.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.824 ' SG ' HG13 ' A' ' 51' ' ' VAL . 8.2 p -151.93 -179.46 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 108.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 p -98.25 172.9 7.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.44 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 31' ' ' PRO . 28.4 tp -142.41 125.4 16.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -139.28 120.62 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.54 131.72 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD22 HG22 ' A' ' 48' ' ' ILE . 1.2 mp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 6.5 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -163.04 157.79 17.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.736 HG21 ' HA ' ' A' ' 64' ' ' GLU . 44.6 pt -105.04 167.08 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.26 131.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.673 HG11 HD12 ' A' ' 34' ' ' ILE . 40.5 t -125.27 122.57 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -94.62 130.11 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 20' ' ' LYS . 90.3 mt -66.14 160.78 61.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 1.84 7.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -103.42 -13.07 16.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.86 -32.1 5.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.84 160.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 t -140.88 164.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 132.65 50.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -135.65 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -135.42 134.22 39.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 p -59.13 132.66 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 54.02 35.75 22.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 14.0 mttm -135.49 -60.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' HD22 ' A' ' 62' ' ' LEU . 85.3 m -103.58 154.79 19.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.74 174.28 3.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.594 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -74.21 -37.09 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ILE . 15.9 mt-30 -73.42 -54.17 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.673 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' CG2' HG13 ' A' ' 55' ' ' VAL . 10.2 mm . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.15 136.08 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -98.91 144.08 28.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG13 ' SG ' ' A' ' 66' ' ' CYS . 49.4 t -129.79 97.93 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 81.29 24.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 3.6 t-20 82.22 18.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.78 133.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 48' ' ' ILE . 53.7 t -47.0 135.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.0 155.17 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 7.9 m-20 -89.46 150.68 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.421 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -79.81 -28.26 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.14 -2.23 58.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.451 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 43.4 ttt85 -109.8 125.76 30.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.28 33.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.32 174.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 12.1 mt-10 -113.19 -38.88 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.736 ' HA ' HG21 ' A' ' 12' ' ' ILE . 3.4 pt-20 -165.96 172.71 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -40.47 113.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.87 ' SG ' HG13 ' A' ' 51' ' ' VAL . 5.9 p -151.34 175.1 12.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -94.8 144.3 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 31' ' ' PRO . 42.7 tp -111.74 133.01 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.55 126.66 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 70' ' ' LEU . 1.1 mm? -96.5 119.75 35.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' SER . 13.7 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -154.47 174.55 3.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG21 ' HA ' ' A' ' 64' ' ' GLU . 14.5 pt -117.34 153.1 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -109.62 129.22 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -123.9 111.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -85.68 124.61 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.542 HD21 HG21 ' A' ' 22' ' ' VAL . 10.1 mt -63.69 161.12 38.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.93 3.09 5.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -103.49 -9.26 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.55 -32.2 6.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.1 154.29 16.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -111.12 157.37 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.542 HG21 HD21 ' A' ' 16' ' ' LEU . 13.8 t -142.25 160.42 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.71 123.96 48.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.59 172.25 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.473 ' CA ' HG12 ' A' ' 12' ' ' ILE . 16.1 mt-10 -131.12 136.63 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 9' ' ' SER . 39.9 p -57.43 142.79 42.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CZ2' ' CD ' ' A' ' 63' ' ' GLU . 9.6 m95 42.2 45.28 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.984 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -144.03 -65.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.856 ' O ' HD22 ' A' ' 62' ' ' LEU . 99.9 m -101.62 148.29 25.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.85 174.65 2.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -19.93 17.29 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -73.85 -33.69 64.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 14.8 mt-30 -77.73 -53.47 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.572 HG21 HG13 ' A' ' 55' ' ' VAL . 19.2 mm . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.07 136.35 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 16.4 mttp -98.93 142.32 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.832 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.5 t -129.92 99.2 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 3.5 t-20 82.18 23.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 40.5 t30 82.09 20.85 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.15 135.25 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.572 HG13 HG21 ' A' ' 48' ' ' ILE . 41.1 t -48.22 128.85 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.4 t-105 -130.04 149.44 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 30.9 m-20 -86.35 149.01 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.72 -27.04 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.91 -4.5 59.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.1 ttt180 -105.46 125.03 34.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.44 34.05 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -53.75 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CD ' ' CZ2' ' A' ' 27' ' ' TRP . 1.3 mt-10 -111.88 -38.02 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.532 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -169.74 -175.18 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.38 111.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.832 ' SG ' HG13 ' A' ' 51' ' ' VAL . 7.8 p -152.01 178.9 8.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.334 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.7 p -95.13 167.04 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 31' ' ' PRO . 45.4 tp -137.53 122.14 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -135.61 118.32 16.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.01 129.07 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.402 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 1.2 mp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.2 pttt -165.16 158.33 13.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.95 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.669 HG21 ' HA ' ' A' ' 64' ' ' GLU . 24.0 pt -107.24 160.21 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 124.07 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.5 t -116.46 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.8 m -88.37 124.72 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.714 HD12 ' CG ' ' A' ' 20' ' ' LYS . 13.6 mt -63.51 161.37 35.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 3.37 5.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -16.57 16.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.22 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.714 ' CG ' HD12 ' A' ' 16' ' ' LEU . 25.1 tttt -59.73 155.62 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -113.32 153.85 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 23' ' ' ASP . 90.6 t -136.54 167.56 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.546 ' N ' HG12 ' A' ' 22' ' ' VAL . 16.9 m-20 -112.23 126.81 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.678 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -140.72 179.11 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.3 mt-10 -133.82 142.21 47.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.0 p -64.47 130.33 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.3 m95 60.97 33.8 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 8.9 mttm -136.68 -66.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.91 ' O ' HD22 ' A' ' 62' ' ' LEU . 76.2 m -99.81 144.5 28.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.11 176.44 1.57 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.99 -20.12 17.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.0 -34.07 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -78.31 -53.81 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.404 HG21 HD23 ' A' ' 68' ' ' LEU . 1.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 48' ' ' ILE . 11.5 mm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.32 133.39 35.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -98.94 146.7 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.847 HG13 ' SG ' ' A' ' 66' ' ' CYS . 42.8 t -132.59 98.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.8 t-20 81.65 24.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.4 t-20 81.92 19.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.89 135.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -50.73 127.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.9 t-105 -128.52 155.05 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.024 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 25.6 m-20 -91.9 146.65 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -26.65 59.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.46 4.37 46.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 1.6 ttm180 -116.79 126.35 27.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.16 33.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -51.85 178.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 7.8 mt-10 -117.73 -36.79 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.669 ' HA ' HG21 ' A' ' 12' ' ' ILE . 11.9 pt-20 -172.21 179.33 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -41.3 109.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.847 ' SG ' HG13 ' A' ' 51' ' ' VAL . 12.0 p -152.1 175.78 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.4 p -95.51 164.97 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' A' ' 31' ' ' PRO . 18.8 tp -131.01 129.55 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' N ' HD12 ' A' ' 68' ' ' LEU . 49.8 tt0 -142.85 123.47 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -91.37 129.74 37.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 1.4 pttp -155.84 174.64 3.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.08 124.58 8.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 14.7 pt -127.88 148.76 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.44 136.04 45.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.586 HG11 HD12 ' A' ' 34' ' ' ILE . 40.6 t -132.83 113.43 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -88.39 133.1 34.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' A' ' 20' ' ' LYS . 98.9 mt -68.75 161.08 74.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.99 1.8 7.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -9.82 18.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.69 -32.16 5.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.21 167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -130.32 147.84 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.85 161.04 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -105.44 132.63 51.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -141.22 171.67 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 11.3 mt-10 -126.5 142.76 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -63.77 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.1 m95 49.82 29.92 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -129.14 -67.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.627 ' O ' HD22 ' A' ' 62' ' ' LEU . 63.2 m -98.67 153.24 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.22 175.64 2.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.5 Cg_endo -74.96 -21.55 15.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.4 t80 -71.44 -39.3 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -71.28 -54.78 9.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.586 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.62 HG22 HD22 ' A' ' 71' ' ' LEU . 5.5 mm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.01 134.77 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.525 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 18.5 mttp -98.91 149.54 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.912 HG13 ' SG ' ' A' ' 66' ' ' CYS . 39.1 t -135.79 98.41 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 80.65 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 4.1 t-20 81.56 20.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.09 135.88 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.79 133.71 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.557 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -137.01 148.78 47.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 10.3 m-20 -83.96 153.0 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 mt -79.52 -33.09 42.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.25 -4.97 57.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -104.62 123.5 40.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.22 33.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.561 1.822 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.627 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -55.19 171.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -110.56 -37.87 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 13.7 pt-20 -167.64 174.99 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -40.46 114.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.912 ' SG ' HG13 ' A' ' 51' ' ' VAL . 25.5 p -152.05 178.0 9.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.265 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.3 p -96.32 155.08 16.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 31' ' ' PRO . 26.0 tp -123.41 129.91 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -142.88 115.95 8.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -84.09 132.22 34.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 158.7 27.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.814 HG21 ' HA ' ' A' ' 64' ' ' GLU . 22.4 pt -103.69 169.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 135.21 54.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.522 HG11 HD12 ' A' ' 34' ' ' ILE . 39.4 t -128.2 114.77 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 m -85.35 136.78 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD12 ' HB3' ' A' ' 20' ' ' LYS . 86.0 mt -73.19 161.44 79.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.03 1.9 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 -8.52 16.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.36 -32.12 6.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.655 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.97 169.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -132.7 151.07 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 23' ' ' ASP . 39.2 t -142.27 163.87 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' N ' HG12 ' A' ' 22' ' ' VAL . 4.9 p-10 -103.36 137.14 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -140.11 176.82 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 33.4 mt-10 -137.22 125.26 22.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -54.48 122.24 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 65.5 40.05 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 108.055 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 1.5 mttt -145.06 -64.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.685 ' O ' HD22 ' A' ' 62' ' ' LEU . 79.6 m -96.32 154.7 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.1 p -123.64 173.94 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.59 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.0 -24.15 13.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.9 t80 -71.06 -35.87 72.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 20.4 mt-30 -73.5 -55.15 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.522 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.448 HG21 HG13 ' A' ' 55' ' ' VAL . 8.0 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.82 134.3 34.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -99.78 128.72 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.861 HG13 ' SG ' ' A' ' 66' ' ' CYS . 42.8 t -113.82 98.04 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.1 t-20 78.85 31.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 22.4 m-20 76.59 17.22 1.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -124.11 136.4 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.448 HG13 HG21 ' A' ' 48' ' ' ILE . 38.9 t -52.47 130.85 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.431 ' CB ' HG23 ' A' ' 51' ' ' VAL . 5.8 t-105 -139.4 128.49 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.19 148.52 51.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.5 mt -69.2 -39.63 78.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -84.28 50.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -158.14 129.4 3.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.56 34.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.71 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -60.07 -177.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 56' ' ' TRP . 2.9 mt-10 -116.97 -35.67 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.814 ' HA ' HG21 ' A' ' 12' ' ' ILE . 10.9 pt-20 -171.46 -175.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -48.59 113.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.861 ' SG ' HG13 ' A' ' 51' ' ' VAL . 6.2 p -152.16 -179.11 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.2 p -104.46 149.58 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 31' ' ' PRO . 16.5 tp -115.28 121.99 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.04 109.67 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 70' ' ' LEU . 1.4 mm? -83.17 121.13 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 48' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -168.46 158.41 8.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 109.14 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 64' ' ' GLU . 16.3 pt -104.76 172.33 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -124.55 135.88 53.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 41.6 t -128.26 137.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 m -104.54 131.74 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 68.9 mt -69.59 161.28 75.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 3.07 5.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -102.83 -14.02 16.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.3 -31.78 5.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 166.15 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.91 157.67 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -142.83 176.39 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.35 134.06 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.8 179.24 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 6.3 mt-10 -137.13 133.62 35.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -61.07 131.0 49.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.551 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 15.3 m95 59.1 35.69 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.14 -63.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.836 ' O ' HD22 ' A' ' 62' ' ' LEU . 42.7 m -102.89 145.21 30.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.402 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.7 OUTLIER -114.77 176.62 1.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.0 -28.94 8.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.5 t80 -65.39 -31.8 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' ILE . 30.7 mt-30 -77.87 -57.54 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 48' ' ' ILE . 5.2 mm . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.58 139.21 34.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 16.3 mttp -100.6 146.1 27.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.955 HG13 ' SG ' ' A' ' 66' ' ' CYS . 41.5 t -131.55 97.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.1 t-20 82.66 24.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 11.6 t30 82.24 19.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.25 133.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.4 t -45.86 136.08 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.482 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -140.71 124.78 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -59.52 142.61 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.9 mt -66.48 -39.18 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -85.67 49.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -154.74 126.85 3.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.79 32.98 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -62.86 175.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 30.4 mt-10 -110.75 -34.07 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.77 ' HA ' HG21 ' A' ' 12' ' ' ILE . 15.7 pt-20 -171.15 174.08 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -40.64 119.71 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.955 ' SG ' HG13 ' A' ' 51' ' ' VAL . 29.4 p -152.49 -177.12 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 p -103.68 141.97 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 31' ' ' PRO . 49.8 tp -108.11 140.65 40.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.27 108.51 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.69 124.76 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.451 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 1.2 mp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -163.62 157.77 16.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.22 3.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.754 HG21 ' HA ' ' A' ' 64' ' ' GLU . 15.3 pt -109.02 170.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 132.2 53.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 HD12 ' A' ' 34' ' ' ILE . 76.9 t -122.78 114.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -87.18 124.78 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 20' ' ' LYS . 33.1 mt -61.5 160.43 25.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 2.05 7.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -103.44 -11.21 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.96 -32.13 5.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.693 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.18 166.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -124.22 154.76 39.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.6 t -142.13 158.58 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -102.86 128.63 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.48 178.79 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.2 mt-10 -137.14 138.67 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -64.65 128.05 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.554 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.7 m95 60.57 39.79 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -143.59 -67.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.875 ' O ' HD22 ' A' ' 62' ' ' LEU . 86.4 m -101.2 140.16 35.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -111.39 176.32 1.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.816 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -69.88 -31.94 70.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -87.05 -34.85 19.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 30' ' ' THR . 1.6 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.847 HG22 HD12 ' A' ' 71' ' ' LEU . 1.5 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -107.41 136.88 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -98.59 124.69 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.842 HG13 ' SG ' ' A' ' 66' ' ' CYS . 52.2 t -112.62 102.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 78.23 25.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.4 t-20 80.45 21.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -130.64 139.01 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.81 129.32 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.45 ' CB ' HG23 ' A' ' 51' ' ' VAL . 6.2 t-105 -133.6 124.99 27.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 107.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -64.77 143.12 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -38.66 91.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 49.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -157.54 124.78 2.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 146.08 32.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -61.38 174.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 36.5 mt-10 -109.56 -34.95 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.754 ' HA ' HG21 ' A' ' 12' ' ' ILE . 2.7 pt-20 -170.59 179.46 3.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -47.31 116.06 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.842 ' SG ' HG13 ' A' ' 51' ' ' VAL . 4.4 p -151.92 174.65 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 p -95.28 135.51 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD11 ' HB1' ' A' ' 49' ' ' ALA . 47.6 tp -107.99 134.7 50.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -145.58 111.75 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.526 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -70.63 144.56 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.847 HD12 HG22 ' A' ' 48' ' ' ILE . 83.8 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -148.3 158.21 41.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 18.3 Cg_endo -75.03 109.19 2.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.907 HG21 ' HA ' ' A' ' 64' ' ' GLU . 44.2 pt -106.01 173.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 123.65 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 34' ' ' ILE . 62.8 t -112.11 116.85 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 m -87.23 124.93 33.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 20' ' ' LYS . 14.2 mt -63.77 161.33 37.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 2.94 6.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.793 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.06 -15.48 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.24 5.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -56.13 163.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -125.57 150.3 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.04 163.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 131.74 46.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.95 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 14.0 mt-10 -136.97 125.61 23.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.7 p -57.76 132.38 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.5 m95 61.07 30.41 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 4.4 mttm -136.77 -76.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 30' ' ' THR . 69.1 m -76.91 171.77 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.493 ' N ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -135.76 166.78 25.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.508 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.94 -19.76 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.5 t80 -80.93 -32.77 34.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -74.27 -48.85 25.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.497 HD12 HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 55' ' ' VAL . 8.2 mm . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.9 138.14 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.8 mttp -101.48 124.3 46.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.893 HG13 ' SG ' ' A' ' 66' ' ' CYS . 44.3 t -109.85 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.9 35.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 71.2 24.43 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.08 138.3 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 48' ' ' ILE . 39.5 t -52.34 130.46 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.464 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.1 t-105 -140.1 124.95 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.01 145.66 55.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.94 35.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' C ' HG22 ' A' ' 30' ' ' THR . 4.2 ttt180 -141.99 133.68 13.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.72 32.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -62.14 179.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 10.3 mt-10 -114.13 -37.46 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.907 ' HA ' HG21 ' A' ' 12' ' ' ILE . 7.4 pt-20 -177.23 -176.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -41.53 112.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.893 ' SG ' HG13 ' A' ' 51' ' ' VAL . 22.8 p -151.96 -175.2 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 p -111.18 147.41 35.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.544 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 38.3 tp -110.92 138.74 46.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' H ' HD12 ' A' ' 68' ' ' LEU . 20.0 tt0 -151.39 108.35 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 131.28 36.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.4 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -135.87 173.76 5.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.671 HG21 ' HA ' ' A' ' 64' ' ' GLU . 17.4 pt -113.0 163.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 122.01 41.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.38 113.19 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.5 m -87.63 124.77 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 5.0 mt -64.43 162.03 37.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 3.08 5.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.6 -17.37 17.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.05 -32.15 5.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.61 170.1 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -126.62 159.18 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 23' ' ' ASP . 45.1 t -141.25 165.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' N ' HG12 ' A' ' 22' ' ' VAL . 2.3 m-20 -104.66 122.82 46.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -137.92 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.461 ' CA ' HG12 ' A' ' 12' ' ' ILE . 26.6 mt-10 -136.83 139.3 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 9' ' ' SER . 16.0 p -60.16 128.87 38.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 19.0 m95 60.29 36.02 20.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 4.2 mttm -134.26 -73.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.578 ' O ' HD22 ' A' ' 62' ' ' LEU . 67.3 m -86.78 168.78 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.632 HG22 ' HA ' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -132.17 167.33 22.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.586 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.04 -20.02 17.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -80.77 -33.06 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -74.08 -47.88 33.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.825 HG21 HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.796 ' HB2' HD13 ' A' ' 70' ' ' LEU . . . -96.47 145.03 26.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -98.63 130.08 45.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.831 HG13 ' SG ' ' A' ' 66' ' ' CYS . 37.1 t -117.42 107.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.8 t-20 75.67 22.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.9 t-20 82.54 20.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -131.38 138.56 52.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.825 HG13 HG21 ' A' ' 48' ' ' ILE . 55.2 t -46.87 136.82 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 3.9 t-105 -145.94 127.48 15.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -66.35 143.08 57.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -70.27 -13.26 62.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.82 -30.36 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -77.59 126.29 84.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.01 147.01 33.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.56 175.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.4 mt-10 -117.29 -37.71 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.671 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.9 pt-20 -173.5 -178.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -40.81 109.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.831 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.8 p -152.17 -176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -102.13 172.17 7.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.397 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 31' ' ' PRO . 13.0 tp -138.55 125.65 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.6 tt0 -144.16 111.26 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.796 HD13 ' HB2' ' A' ' 49' ' ' ALA . 1.1 mm? -82.23 126.94 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HE2' HG22 ' A' ' 12' ' ' ILE . 3.9 pttt -139.52 159.02 67.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 110.32 3.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.879 HG21 ' HA ' ' A' ' 64' ' ' GLU . 22.4 pt -105.62 170.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 121.68 39.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG11 HD12 ' A' ' 34' ' ' ILE . 54.5 t -115.33 121.42 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.2 m -93.54 133.54 36.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 88.0 mt -71.12 161.81 76.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.641 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 2.93 6.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -103.53 -14.5 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 -31.99 5.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 168.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.743 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -131.1 149.63 52.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 t -137.85 158.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -101.32 124.43 47.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -133.73 179.14 6.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 23.8 mt-10 -134.9 133.72 39.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -63.44 120.94 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 7.6 m95 72.74 36.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.24 -61.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.828 ' O ' HD22 ' A' ' 62' ' ' LEU . 69.9 m -99.39 148.09 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.64 174.58 2.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.646 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.1 Cg_endo -74.97 -21.3 16.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -73.77 -31.27 63.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -78.62 -53.7 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.449 HD12 HG11 ' A' ' 14' ' ' VAL . 1.1 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' LEU . 20.7 mm . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -104.15 131.85 51.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -98.36 138.03 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.888 HG13 ' SG ' ' A' ' 66' ' ' CYS . 37.7 t -125.23 100.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.2 t-20 76.35 25.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 34.8 t30 81.88 19.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.88 128.49 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -44.67 134.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ALA . 6.1 t-105 -140.54 134.03 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.21 143.68 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -87.89 45.51 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -155.3 130.47 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.44 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 11.6 mt-10 -116.03 -34.39 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HA ' HG21 ' A' ' 12' ' ' ILE . 16.2 pt-20 -178.29 179.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -40.09 109.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.888 ' SG ' HG13 ' A' ' 51' ' ' VAL . 23.5 p -152.2 170.79 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 p -93.42 149.66 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD13 ' HB3' ' A' ' 31' ' ' PRO . 30.7 tp -116.23 131.94 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.73 122.88 12.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.641 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -86.88 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' ILE . 2.6 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 157.94 64.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.433 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 18.2 Cg_endo -75.05 111.66 3.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.898 HG21 ' HA ' ' A' ' 64' ' ' GLU . 12.3 pt -109.54 164.68 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.48 125.91 54.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 34' ' ' ILE . 53.5 t -117.82 111.85 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -85.12 128.49 34.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 20' ' ' LYS . 20.5 mt -66.43 161.09 61.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 3.17 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -102.93 -14.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.61 -32.24 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD12 ' A' ' 16' ' ' LEU . 1.3 mmmt -56.3 165.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.76 153.03 44.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.36 161.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.38 128.46 45.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -135.61 174.55 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 11' ' ' PRO . 1.5 mm-40 -134.44 137.04 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.5 p -64.69 130.9 45.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 59.53 34.1 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 107.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -138.58 -62.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.596 ' O ' HD22 ' A' ' 62' ' ' LEU . 52.8 m -99.08 158.15 15.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.7 p -127.86 172.77 6.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.696 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -74.94 -19.23 18.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.9 t80 -75.05 -34.38 61.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -76.5 -47.87 21.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.661 HD12 HG11 ' A' ' 14' ' ' VAL . 1.1 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 48' ' ' ILE . 18.8 mm . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.11 132.35 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HD2' HD21 ' A' ' 71' ' ' LEU . 32.7 mttp -99.45 132.14 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.818 HG13 ' SG ' ' A' ' 66' ' ' CYS . 39.9 t -117.59 102.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.1 28.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.3 t30 77.74 21.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.12 134.62 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -47.54 134.34 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -139.97 145.9 38.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 4.9 m-20 -80.11 151.32 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -76.17 -28.79 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.19 -31.41 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 12.2 ttt85 -76.7 123.24 87.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -50.41 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.7 mt-10 -115.48 -39.06 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.898 ' HA ' HG21 ' A' ' 12' ' ' ILE . 13.0 pt-20 -169.26 -177.51 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -43.59 110.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.818 ' SG ' HG13 ' A' ' 51' ' ' VAL . 9.7 p -152.18 173.47 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 p -100.21 144.86 28.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 31' ' ' PRO . 26.1 tp -108.35 132.24 53.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.99 120.15 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 70' ' ' LEU . 1.2 mm? -90.53 120.93 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.47 HD21 ' HD2' ' A' ' 50' ' ' LYS . 29.5 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 158.09 21.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.728 HG21 ' HA ' ' A' ' 64' ' ' GLU . 27.6 pt -108.62 168.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 129.39 54.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.588 HG11 HD12 ' A' ' 34' ' ' ILE . 46.1 t -121.0 112.94 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -85.59 130.33 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 20' ' ' LYS . 74.3 mt -66.82 160.84 66.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -104.3 -12.01 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.36 -32.14 5.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -53.2 162.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 0.803 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -122.11 147.5 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 23' ' ' ASP . 62.0 t -131.59 166.55 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.7 m-20 -117.08 123.3 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.87 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -139.78 179.31 6.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 20.6 mt-10 -132.15 142.71 49.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 p -61.39 137.1 58.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 21.1 m95 56.66 21.55 5.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 3.0 mttm -120.44 -78.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.87 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 98.3 m -81.03 162.09 23.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -126.81 168.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.99 -20.19 17.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.8 t80 -79.7 -35.11 39.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ILE . 11.1 mt-30 -71.41 -51.28 24.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.588 HD12 HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 48' ' ' ILE . 15.0 mm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -94.15 133.32 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 14.3 mttp -98.72 132.54 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.875 HG13 ' SG ' ' A' ' 66' ' ' CYS . 50.0 t -120.16 97.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 79.18 35.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.08 23.21 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -131.45 132.54 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -47.81 132.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.5 ' CG ' HG21 ' A' ' 51' ' ' VAL . 6.6 t-105 -136.1 150.66 49.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 36.9 m-20 -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -82.85 -18.99 38.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.45 -18.1 22.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 21.6 ttt180 -90.3 127.54 52.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.597 ' HA ' HG22 ' A' ' 30' ' ' THR . 18.3 Cg_endo -74.95 146.96 33.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.637 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.98 173.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -113.19 -38.7 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.728 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -170.14 -177.29 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.7 113.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.875 ' SG ' HG13 ' A' ' 51' ' ' VAL . 6.9 p -152.09 -176.88 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.3 p -98.34 170.4 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 31' ' ' PRO . 36.7 tp -141.16 124.19 16.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -139.82 109.45 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.485 HD22 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -75.5 125.48 29.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.434 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 2.2 pttm -164.71 158.7 15.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.28 2.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.597 HG13 ' HB3' ' A' ' 24' ' ' ALA . 26.5 pt -105.55 156.79 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -110.29 136.34 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG11 HD13 ' A' ' 34' ' ' ILE . 51.3 t -131.25 116.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m -90.85 125.03 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' A' ' 20' ' ' LYS . 36.4 mt -60.1 160.09 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.0 1.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -103.22 -11.6 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.7 -32.2 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.775 ' HB3' HD12 ' A' ' 16' ' ' LEU . 5.9 mtmm -54.74 164.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 0.779 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' NE2' ' HE2' ' A' ' 13' ' ' LYS . 75.1 mt-30 -121.39 154.56 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 23' ' ' ASP . 45.6 t -143.31 161.07 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -103.44 133.1 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -137.63 171.08 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 34.8 mt-10 -134.11 131.52 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -57.3 134.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.9 m95 51.24 40.58 26.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 9.0 mmmt -142.16 -74.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.55 ' O ' HD22 ' A' ' 62' ' ' LEU . 54.4 m -94.29 153.86 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.465 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -122.4 179.72 0.94 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.648 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -30.4 7.17 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.514 1.797 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.524 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -66.09 -47.33 74.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -71.61 -25.79 62.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 HG11 ' A' ' 14' ' ' VAL . 12.3 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.611 HG21 HG13 ' A' ' 55' ' ' VAL . 6.4 mm . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -97.79 137.56 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -98.9 138.57 35.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.919 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.7 t -123.97 97.95 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.5 t-20 80.12 30.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 76.25 20.88 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.69 130.08 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 48' ' ' ILE . 28.6 t -44.64 138.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.507 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -141.81 133.02 26.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -71.35 139.29 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.2 mt -65.44 -31.73 72.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -89.11 46.04 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -157.3 129.69 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.43 32.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.616 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -57.79 -177.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -117.71 -36.38 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.1 pt-20 -172.78 175.68 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.01 115.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.919 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.7 p -152.07 -176.17 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 p -107.69 143.35 36.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 31' ' ' PRO . 62.3 tp -107.96 137.93 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -153.68 106.86 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.668 HD22 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -74.88 138.49 42.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ILE . 1.6 mp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -156.19 157.96 31.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 109.97 3.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.924 HG21 ' HA ' ' A' ' 64' ' ' GLU . 11.3 pt -108.13 169.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.32 133.89 55.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 44.7 t -126.31 117.39 48.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -86.59 138.39 31.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.967 HD12 ' HB3' ' A' ' 20' ' ' LYS . 68.7 mt -74.48 161.41 78.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.05 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -108.9 -3.78 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.64 -32.08 6.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.967 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.21 167.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -134.12 151.79 51.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.5 t -144.56 161.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.83 131.62 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.28 179.06 6.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 38.2 mt-10 -137.22 135.98 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 p -65.52 125.87 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.567 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 64.24 34.59 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.28 -63.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.822 ' O ' HD22 ' A' ' 62' ' ' LEU . 93.5 m -98.88 150.05 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -118.93 174.96 2.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.02 -26.8 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.7 t80 -69.3 -37.36 77.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 mt-30 -71.68 -54.02 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 48' ' ' ILE . 13.6 mm . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -103.62 136.63 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -99.28 136.55 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.895 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.7 t -123.47 98.8 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.3 t-20 81.83 24.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.9 t-20 81.72 19.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.1 134.09 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 t -46.32 137.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.8 t-105 -142.8 128.57 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.2 147.17 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.2 mt -71.09 -36.47 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.91 47.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 30' ' ' THR . 8.2 ttt180 -155.27 129.68 4.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.58 35.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.822 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -60.76 178.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 6.6 mt-10 -111.2 -34.92 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.924 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.4 pt-20 -177.9 -179.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.81 112.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.895 ' SG ' HG13 ' A' ' 51' ' ' VAL . 23.5 p -152.14 179.18 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.0 p -103.29 144.82 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 31' ' ' PRO . 62.0 tp -110.6 136.16 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -150.16 116.57 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 129.14 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -166.02 158.53 12.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.412 ' CA ' ' OE2' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.97 110.61 3.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.643 HG21 ' HA ' ' A' ' 64' ' ' GLU . 42.8 pt -106.89 171.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.89 135.08 49.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -128.88 119.38 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.7 m -88.44 124.93 34.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 20' ' ' LYS . 10.0 mt -63.8 161.2 39.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.0 2.88 6.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -101.32 -15.64 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.84 -31.44 5.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.642 ' HG2' HD12 ' A' ' 16' ' ' LEU . 23.0 tttt -60.75 154.93 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -108.99 152.5 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 23' ' ' ASP . 86.2 t -131.84 165.94 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 22' ' ' VAL . 22.6 m-20 -114.65 126.61 55.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.546 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -140.88 178.27 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.6 mm-40 -134.94 141.89 46.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -62.02 130.36 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 58.0 41.33 24.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -142.36 -71.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.553 ' O ' HD22 ' A' ' 62' ' ' LEU . 52.5 m -97.42 152.5 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.465 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -121.48 -179.8 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.98 -28.78 8.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 3.3 t80 -66.88 -51.22 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.41 -30.83 70.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.602 HG21 ' CD2' ' A' ' 68' ' ' LEU . 6.6 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 48' ' ' ILE . 14.4 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -96.23 131.49 42.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 13.9 mttp -99.13 128.4 45.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.919 HG13 ' SG ' ' A' ' 66' ' ' CYS . 48.0 t -115.16 99.98 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.11 34.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.46 21.79 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.358 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -131.24 133.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.2 t -47.44 136.94 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.468 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -143.09 133.35 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -70.26 145.07 51.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.0 mt -70.29 -31.09 68.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -90.36 39.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -148.65 128.09 6.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.9 33.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.598 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.52 -178.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -115.32 -33.35 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.643 ' HA ' HG21 ' A' ' 12' ' ' ILE . 11.0 pt-20 -175.31 177.75 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -41.16 113.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.919 ' SG ' HG13 ' A' ' 51' ' ' VAL . 25.4 p -151.83 179.68 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 p -100.34 155.03 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.602 ' CD2' HG21 ' A' ' 34' ' ' ILE . 45.5 tp -124.87 133.77 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -144.02 110.99 5.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.49 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -76.41 124.49 27.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.443 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 2.6 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -169.07 157.64 7.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.713 HG21 ' HA ' ' A' ' 64' ' ' GLU . 15.6 pt -111.24 167.24 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -115.81 137.43 52.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 60.4 t -131.6 119.81 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -91.33 144.97 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.917 HD12 ' HB3' ' A' ' 20' ' ' LYS . 39.4 mt -80.59 162.38 60.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 1.43 7.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.41 -13.26 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 -32.02 5.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.917 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.26 159.12 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -123.15 151.59 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 t -141.62 160.57 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.26 132.38 46.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -138.55 177.84 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 28' ' ' LYS . 2.1 mp0 -137.14 135.52 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 p -59.57 135.29 57.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CZ2' ' OE2' ' A' ' 63' ' ' GLU . 8.5 m95 51.88 37.65 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -139.15 -64.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' HD22 ' A' ' 62' ' ' LEU . 92.6 m -99.4 155.54 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 2.0 p -125.2 173.32 5.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.755 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.01 -19.95 17.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.811 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.0 t80 -74.16 -36.11 64.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ILE . 8.1 mt-30 -74.27 -54.15 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.02 133.31 35.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -98.79 132.95 43.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.89 HG13 ' SG ' ' A' ' 66' ' ' CYS . 53.5 t -120.02 100.31 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 80.01 29.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.6 t30 75.7 22.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.27 135.89 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -48.14 131.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.574 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.9 t-105 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 70.2 m-20 -85.72 151.2 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 2.1 mt -76.39 -27.58 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.83 -22.25 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 2.1 ttt180 -86.33 124.43 69.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 147.31 33.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.75 175.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' OE2' ' CZ2' ' A' ' 27' ' ' TRP . 3.2 mt-10 -113.83 -39.3 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.713 ' HA ' HG21 ' A' ' 12' ' ' ILE . 12.3 pt-20 -173.11 -178.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' GLU . 2.8 p-10 -40.23 110.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.89 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.7 p -152.11 177.49 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 p -102.3 145.09 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 31' ' ' PRO . 30.3 tp -113.34 139.14 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -150.3 125.05 9.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.41 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -92.5 118.04 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -164.08 163.81 15.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 112.55 3.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.7 HG21 ' HA ' ' A' ' 64' ' ' GLU . 26.2 pt -106.59 162.45 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -113.17 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.76 114.6 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 m -89.52 128.84 36.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 ' CB ' ' A' ' 20' ' ' LYS . 46.9 mt -64.18 160.19 50.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.05 1.58 7.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.541 1.811 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.53 -5.63 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.98 -32.04 6.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.698 ' CB ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.6 166.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.85 152.08 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 23' ' ' ASP . 58.5 t -141.24 163.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' N ' HG12 ' A' ' 22' ' ' VAL . 11.2 p-10 -104.61 131.44 52.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.85 175.74 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 34.0 mt-10 -137.27 133.03 34.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 p -58.33 128.98 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.4 m95 58.48 41.17 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -143.06 -65.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.793 ' O ' HD22 ' A' ' 62' ' ' LEU . 91.7 m -98.8 154.55 17.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.13 173.89 4.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.94 -21.56 15.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.0 t80 -73.83 -33.82 64.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ILE . 26.9 mt-30 -77.21 -53.15 8.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.498 ' CG2' HG13 ' A' ' 55' ' ' VAL . 20.8 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . . . -92.08 131.41 37.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 53' ' ' ASN . 16.3 mttm -98.95 142.27 30.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.834 HG13 ' SG ' ' A' ' 66' ' ' CYS . 54.8 t -128.35 99.25 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 80.72 29.67 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.6 OUTLIER 76.63 20.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -130.53 132.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.498 HG13 ' CG2' ' A' ' 48' ' ' ILE . 49.6 t -46.8 134.5 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.49 ' CB ' HG23 ' A' ' 51' ' ' VAL . 5.7 t-105 -139.92 124.99 18.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.49 142.77 58.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.411 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -64.29 -40.18 95.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -83.98 51.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.54 127.78 3.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.12 33.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.793 HD22 ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -58.62 -177.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 57.4 mt-10 -117.77 -35.73 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.7 ' HA ' HG21 ' A' ' 12' ' ' ILE . 5.7 pt-20 -175.94 -179.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -40.8 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.834 ' SG ' HG13 ' A' ' 51' ' ' VAL . 9.1 p -152.18 174.28 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 p -94.99 161.29 14.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 31' ' ' PRO . 36.3 tp -127.18 128.39 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -139.63 121.57 15.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.698 HD22 ' N ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -89.09 129.16 35.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -80.17 114.24 18.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 t -48.4 112.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.36 115.57 6.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -140.81 100.67 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.032 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m 41.45 90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.68 76.55 0.41 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.77 98.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t -46.92 172.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 158.19 18.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 110.12 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.778 HG21 ' HA ' ' A' ' 64' ' ' GLU . 19.0 pt -106.39 173.64 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.59 135.28 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.446 HG11 HD12 ' A' ' 34' ' ' ILE . 44.6 t -125.26 117.38 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -89.17 126.89 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.004 HD12 ' HB3' ' A' ' 20' ' ' LYS . 79.3 mt -62.82 160.33 37.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.79 7.36 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.5 1.79 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -105.18 -9.54 17.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.4 -32.09 5.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.546 1.153 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 1.004 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.97 160.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.746 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -123.56 148.51 46.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 23' ' ' ASP . 6.5 t -139.08 166.6 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -106.59 134.49 49.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.61 179.34 6.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -136.76 137.34 39.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -63.09 129.93 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 10.2 m95 56.13 38.14 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.021 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -141.0 -56.94 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.708 ' O ' HD22 ' A' ' 62' ' ' LEU . 89.1 m -106.87 152.88 23.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -123.25 174.36 3.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.643 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.97 -20.49 16.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.1 t80 -73.68 -36.04 65.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -74.69 -51.43 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.446 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -44.47 -47.13 2.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -69.33 -54.13 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.6 m -43.11 -46.69 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.77 -48.1 5.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 35' ' ' ALA . 6.3 mt -61.13 167.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.555 0.797 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.523 ' N ' HG22 ' A' ' 38' ' ' ILE . 69.2 m -39.21 122.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -47.49 122.92 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.37 -34.22 2.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD13 HG21 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -57.46 -58.66 7.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 0.776 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.09 -25.89 68.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -61.37 -34.37 75.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -103.25 60.37 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 47' ' ' VAL . 27.5 m -133.22 172.03 13.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.405 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.888 HG11 ' HA ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -139.95 -83.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.604 ' H ' HG23 ' A' ' 47' ' ' VAL . 12.1 mm -121.77 128.28 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.78 136.23 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -98.99 125.64 44.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.829 HG13 ' SG ' ' A' ' 66' ' ' CYS . 54.5 t -112.36 100.58 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 79.85 29.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 75.62 23.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -130.84 139.19 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.563 HG13 HG21 ' A' ' 48' ' ' ILE . 37.2 t -52.38 129.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -134.09 147.85 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 2.8 m-20 -85.28 144.41 28.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.777 HD11 ' O ' ' A' ' 47' ' ' VAL . 1.7 mt -70.74 -29.23 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.47 -15.13 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.8 ttt85 -93.72 125.16 54.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.31 33.87 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.45 177.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.3 mt-10 -116.42 -36.31 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.778 ' HA ' HG21 ' A' ' 12' ' ' ILE . 14.6 pt-20 -175.44 -177.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -40.48 110.33 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.829 ' SG ' HG13 ' A' ' 51' ' ' VAL . 10.4 p -152.08 178.41 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 p -106.67 143.94 34.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 31' ' ' PRO . 21.8 tp -108.02 136.63 47.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' H ' HD12 ' A' ' 68' ' ' LEU . 13.1 tt0 -146.25 113.0 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.26 134.14 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -90.65 154.16 19.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -30.78 38.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.888 ' HA ' HG11 ' A' ' 47' ' ' VAL . 11.1 t80 171.69 153.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 8.0 mt-10 -47.42 164.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.33 90.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.3 70.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -170.61 150.81 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.68 165.03 37.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.95 -57.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.6 93.3 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.8 p -172.09 155.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 5.7 p90 -45.53 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.6 p -131.71 127.2 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -49.88 105.9 0.19 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.93 10.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.3 p -66.66 146.98 53.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m 64.63 83.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.36 142.11 5.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 110.003 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -156.99 159.19 37.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.85 -170.44 44.25 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.74 102.2 4.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -75.79 140.24 42.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.047 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.32 118.75 7.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -156.84 115.15 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -68.09 178.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 8.7 pttt -165.17 157.74 13.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.829 HG21 ' HA ' ' A' ' 64' ' ' GLU . 14.2 pt -104.1 166.88 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.1 136.0 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -129.84 115.61 34.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 20' ' ' LYS . 2.9 m -87.13 137.77 32.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.981 HD12 ' HB3' ' A' ' 20' ' ' LYS . 40.0 mt -72.97 161.17 80.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.94 1.41 7.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -103.8 -7.37 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.93 21.34 12.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.152 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.981 ' HB3' HD12 ' A' ' 16' ' ' LEU . 1.5 mttt -99.42 167.89 10.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -121.12 146.69 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.3 t -142.16 157.78 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -103.77 128.95 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -139.89 178.06 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.2 mt-10 -137.39 134.45 35.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.2 p -59.85 130.14 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 59.14 34.97 23.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 11.0 mttm -138.23 -67.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.776 ' O ' HD22 ' A' ' 62' ' ' LEU . 75.3 m -96.52 153.22 17.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.24 175.1 2.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.49 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.01 -29.41 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.519 1.799 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 9.8 t80 -66.56 -32.39 73.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ILE . 29.2 mt-30 -77.07 -55.94 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.0 OUTLIER -40.02 -60.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.67 -58.29 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -57.99 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 108.234 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.76 -55.49 1.77 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.123 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.733 HD11 HD21 ' A' ' 16' ' ' LEU . 3.7 mt -48.94 -66.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.78 130.4 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -69.68 132.09 45.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . 125.15 -54.97 0.73 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.493 HD23 ' OG1' ' A' ' 46' ' ' THR . 1.0 OUTLIER -40.56 -49.47 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.09 -49.89 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' GLY . 11.3 t0 -52.58 -53.21 49.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -60.86 -46.14 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.637 HG23 ' HB3' ' A' ' 70' ' ' LEU . 60.4 m -47.26 163.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.373 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -122.48 -65.21 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.618 HG21 HG13 ' A' ' 55' ' ' VAL . 6.2 mm -141.48 134.92 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -91.1 135.74 33.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.1 mttp -99.3 126.34 45.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.833 HG13 ' SG ' ' A' ' 66' ' ' CYS . 55.0 t -112.23 100.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.2 t-20 80.01 32.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.57 22.71 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.16 141.77 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.618 HG13 HG21 ' A' ' 48' ' ' ILE . 30.0 t -54.39 133.34 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.7 t-105 -140.06 124.89 18.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 107.995 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.16 143.18 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 4.5 mt -67.37 -37.32 82.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -86.52 49.09 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -155.84 128.69 4.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.07 33.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.89 -178.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 5.0 mt-10 -118.27 -37.29 3.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.829 ' HA ' HG21 ' A' ' 12' ' ' ILE . 7.2 pt-20 -170.11 178.27 3.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -42.08 114.62 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.833 ' SG ' HG13 ' A' ' 51' ' ' VAL . 5.9 p -151.95 179.36 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 p -104.99 145.42 30.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' A' ' 31' ' ' PRO . 22.7 tp -109.02 131.63 54.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -142.64 108.35 5.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -79.93 130.36 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' CB ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -86.74 153.46 21.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 3.9 mttt -81.74 -50.71 8.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.832 ' HA ' HG11 ' A' ' 47' ' ' VAL . 8.1 m-85 -169.68 43.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -111.91 100.44 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.566 ' OD1' HG21 ' A' ' 81' ' ' VAL . 20.0 t0 -151.28 84.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -111.39 -14.98 13.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -75.84 106.57 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.57 177.54 7.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.47 107.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 55.05 90.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 ' OD1' ' A' ' 75' ' ' ASP . 12.2 p -173.05 -41.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -154.53 136.91 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.82 -49.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.71 157.44 30.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.62 2.53 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 p -106.67 144.69 32.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.02 95.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -81.92 -55.66 4.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t 63.49 109.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.95 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.89 130.08 3.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.26 137.17 36.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.0 147.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.97 67.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.03 155.27 8.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t -51.02 163.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -155.17 175.41 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -75.06 117.96 5.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.613 HG21 ' HA ' ' A' ' 64' ' ' GLU . 18.5 pt -119.41 156.57 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -110.23 137.58 47.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG11 HD12 ' A' ' 34' ' ' ILE . 14.9 t -133.09 118.75 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 20' ' ' LYS . 8.1 m -88.88 147.2 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 20' ' ' LYS . 35.7 mt -83.74 162.68 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 1.49 7.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -106.57 -12.76 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.65 -31.72 5.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.662 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -48.88 167.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -134.47 136.95 43.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 23' ' ' ASP . 18.0 t -128.72 164.14 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -105.42 136.99 43.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -141.19 176.62 8.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 4.4 mt-10 -132.15 134.92 45.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 9' ' ' SER . 11.0 p -57.62 130.7 47.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.453 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 11.7 m95 54.19 40.32 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -139.66 -63.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.764 ' O ' HD22 ' A' ' 62' ' ' LEU . 95.2 m -101.73 150.91 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.401 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.09 175.77 2.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.631 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.06 -20.04 17.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -73.0 -41.82 63.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ILE . 25.1 mt-30 -69.25 -53.87 17.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 HG11 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -39.82 -61.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.623 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -46.19 -68.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -43.29 -50.53 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.24 -60.09 1.13 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 35' ' ' ALA . 4.2 mt -43.84 -82.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 m -145.2 131.22 19.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -54.38 107.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 148.58 -44.35 0.76 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.145 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tt -51.44 -48.23 62.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.85 -25.13 66.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 2.9 t70 -62.15 -46.2 90.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -93.23 76.21 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.449 HG23 ' HB3' ' A' ' 70' ' ' LEU . 17.2 m -149.17 137.64 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.643 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -115.29 -47.21 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.561 HG22 HD22 ' A' ' 71' ' ' LEU . 6.9 mm -151.86 133.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -98.27 132.79 43.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 17.3 mttp -98.76 143.81 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.824 HG13 ' SG ' ' A' ' 66' ' ' CYS . 55.8 t -131.53 98.05 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.9 t-20 83.14 23.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.2 t30 82.03 20.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.53 133.67 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -45.5 132.96 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.51 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.93 148.93 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 107.98 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 39.0 m-20 -83.66 157.8 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.7 mt -83.01 -29.64 28.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.42 -15.8 48.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -93.16 123.17 61.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 147.31 34.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.817 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.95 173.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 3.0 mt-10 -110.53 -38.21 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.613 ' HA ' HG21 ' A' ' 12' ' ' ILE . 2.6 pt-20 -171.43 -167.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -50.43 109.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.824 ' SG ' HG13 ' A' ' 51' ' ' VAL . 8.2 p -151.93 -179.46 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 108.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 p -98.25 172.9 7.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.44 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 31' ' ' PRO . 28.4 tp -142.41 125.4 16.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -139.28 120.62 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.9 OUTLIER -84.54 131.72 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD22 HG22 ' A' ' 48' ' ' ILE . 1.2 mp -97.92 154.69 17.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -96.22 -34.56 11.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.643 ' HA ' HG21 ' A' ' 47' ' ' VAL . 38.5 t80 -169.42 139.27 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.09 167.78 10.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.88 95.9 5.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.54 172.45 13.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -52.68 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -177.0 -72.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 38.79 80.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.663 ' O ' HG12 ' A' ' 81' ' ' VAL . . . 57.16 -99.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER 85.61 -5.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 49.16 -176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.7 m 41.07 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.15 159.75 52.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 111.93 3.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.81 98.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.5 p -161.42 129.56 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m 60.85 121.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 t 41.14 87.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.95 -86.36 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.64 94.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.012 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.4 -64.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.51 178.14 49.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -101.13 160.4 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 6.5 t 56.16 178.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -163.04 157.79 17.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.736 HG21 ' HA ' ' A' ' 64' ' ' GLU . 44.6 pt -105.04 167.08 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.26 131.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.673 HG11 HD12 ' A' ' 34' ' ' ILE . 40.5 t -125.27 122.57 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -94.62 130.11 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 20' ' ' LYS . 90.3 mt -66.14 160.78 61.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 1.84 7.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -103.42 -13.07 16.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.86 -32.1 5.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.84 160.75 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.296 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.0 t -140.88 164.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.49 132.65 50.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -135.65 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -135.42 134.22 39.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 p -59.13 132.66 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.0 m95 54.02 35.75 22.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 14.0 mttm -135.49 -60.86 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.651 ' O ' HD22 ' A' ' 62' ' ' LEU . 85.3 m -103.58 154.79 19.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.74 174.28 3.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.594 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.03 -19.78 17.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -74.21 -37.09 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' ILE . 15.9 mt-30 -73.42 -54.17 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.673 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -40.24 -58.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -48.01 -59.4 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -41.9 -46.47 4.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 108.321 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.94 -55.22 6.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.543 HD11 HD22 ' A' ' 16' ' ' LEU . 1.9 mp -40.68 -71.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -161.88 121.49 2.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.148 . . . . 0.0 109.969 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -43.56 108.11 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.19 -38.94 1.21 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.9 -52.63 63.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.57 62.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -30.53 68.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -102.92 69.72 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.5 HG23 ' HB3' ' A' ' 70' ' ' LEU . 10.5 m -138.52 147.4 43.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.884 HG21 ' N ' ' A' ' 73' ' ' PHE . 3.5 t -106.71 -65.22 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' CG2' HG13 ' A' ' 55' ' ' VAL . 10.2 mm -147.93 126.45 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.15 136.08 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -98.91 144.08 28.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG13 ' SG ' ' A' ' 66' ' ' CYS . 49.4 t -129.79 97.93 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 81.29 24.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 3.6 t-20 82.22 18.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.78 133.19 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 48' ' ' ILE . 53.7 t -47.0 135.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.568 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.7 t-105 -137.0 155.17 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 7.9 m-20 -89.46 150.68 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.421 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -79.81 -28.26 40.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.14 -2.23 58.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.451 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 43.4 ttt85 -109.8 125.76 30.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.28 33.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.32 174.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 12.1 mt-10 -113.19 -38.88 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.736 ' HA ' HG21 ' A' ' 12' ' ' ILE . 3.4 pt-20 -165.96 172.71 11.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -40.47 113.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.87 ' SG ' HG13 ' A' ' 51' ' ' VAL . 5.9 p -151.34 175.1 12.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 108.258 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -94.8 144.3 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 31' ' ' PRO . 42.7 tp -111.74 133.01 54.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -147.55 126.66 12.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 70' ' ' LEU . 1.1 mm? -96.5 119.75 35.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.71 154.07 32.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 73' ' ' PHE . 9.8 ttpp -105.69 125.78 51.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.884 ' N ' HG21 ' A' ' 47' ' ' VAL . 2.4 m-85 31.18 47.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' N ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -38.08 135.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.44 24.47 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.61 -54.8 7.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.49 -169.38 2.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.93 -49.67 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -51.95 52.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 81' ' ' VAL . . . -103.09 93.89 5.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 80' ' ' ALA . 46.6 t -153.09 -50.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -106.22 142.87 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.9 p -140.72 83.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.31 157.48 51.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.33 21.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 t -147.0 122.86 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.32 105.97 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.73 163.84 37.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.64 120.82 39.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.8 160.15 27.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -85.11 -61.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -73.9 112.51 10.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.65 94.26 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.21 161.86 30.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' SER . 13.7 p -48.51 164.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -154.47 174.55 3.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.6 4.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.79 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG21 ' HA ' ' A' ' 64' ' ' GLU . 14.5 pt -117.34 153.1 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -109.62 129.22 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.8 t -123.9 111.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -85.68 124.61 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.542 HD21 HG21 ' A' ' 22' ' ' VAL . 10.1 mt -63.69 161.12 38.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.93 3.09 5.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -103.49 -9.26 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.55 -32.2 6.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -59.1 154.29 16.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -111.12 157.37 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.542 HG21 HD21 ' A' ' 16' ' ' LEU . 13.8 t -142.25 160.42 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.71 123.96 48.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.59 172.25 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.473 ' CA ' HG12 ' A' ' 12' ' ' ILE . 16.1 mt-10 -131.12 136.63 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.355 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' CB ' ' A' ' 9' ' ' SER . 39.9 p -57.43 142.79 42.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CZ2' ' CD ' ' A' ' 63' ' ' GLU . 9.6 m95 42.2 45.28 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.984 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -144.03 -65.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.856 ' O ' HD22 ' A' ' 62' ' ' LEU . 99.9 m -101.62 148.29 25.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.467 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.85 174.65 2.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -19.93 17.29 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.811 ' CD1' ' HB1' ' A' ' 43' ' ' ALA . 8.2 t80 -73.85 -33.69 64.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 14.8 mt-30 -77.73 -53.47 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.436 ' O ' HD12 ' A' ' 38' ' ' ILE . 1.1 mt -40.13 -52.29 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.9 -58.75 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.2 t -43.61 -50.85 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 108.267 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.55 -45.97 12.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 39' ' ' SER . 4.3 mt -68.12 -92.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.51 ' N ' HG22 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -88.47 144.16 26.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -77.98 126.15 30.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.06 23.24 78.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 39' ' ' SER . 0.3 OUTLIER -75.97 -55.99 5.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 0.801 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.811 ' HB1' ' CD1' ' A' ' 32' ' ' TYR . . . -47.83 -43.26 27.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -49.12 -31.84 8.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -107.3 65.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -139.71 127.56 22.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.859 HG11 ' C ' ' A' ' 73' ' ' PHE . 53.2 t -72.92 -72.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.572 HG21 HG13 ' A' ' 55' ' ' VAL . 19.2 mm -149.34 132.55 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.07 136.35 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 16.4 mttp -98.93 142.32 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.832 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.5 t -129.92 99.2 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 3.5 t-20 82.18 23.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 40.5 t30 82.09 20.85 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.15 135.25 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.572 HG13 HG21 ' A' ' 48' ' ' ILE . 41.1 t -48.22 128.85 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.4 t-105 -130.04 149.44 51.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 30.9 m-20 -86.35 149.01 25.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.72 -27.04 55.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.91 -4.5 59.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 8.1 ttt180 -105.46 125.03 34.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.44 34.05 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -53.75 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' CD ' ' CZ2' ' A' ' 27' ' ' TRP . 1.3 mt-10 -111.88 -38.02 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.532 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -169.74 -175.18 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.38 111.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.832 ' SG ' HG13 ' A' ' 51' ' ' VAL . 7.8 p -152.01 178.9 8.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 108.334 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.7 p -95.13 167.04 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 31' ' ' PRO . 45.4 tp -137.53 122.14 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -135.61 118.32 16.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.01 129.07 34.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.402 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 1.2 mp -91.31 137.73 32.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.34 35.84 2.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.859 ' C ' HG11 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -177.29 142.23 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' HG11 ' A' ' 47' ' ' VAL . 5.1 tt0 -113.04 166.85 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.557 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 10.9 t0 -167.98 97.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -179.7 136.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.68 80.39 2.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 46.21 87.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -167.16 111.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 64.2 88.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.557 HG22 ' HD1' ' A' ' 82' ' ' TYR . 2.7 p -149.8 152.3 11.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 0.3 OUTLIER -44.61 140.92 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 73.69 73.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.02 -84.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.2 t 74.88 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -138.56 88.77 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.958 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.9 146.62 11.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 110.016 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -160.84 160.44 31.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.29 -129.38 1.76 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.54 107.27 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.27 74.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.98 -173.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -153.16 163.29 40.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 p -64.46 -175.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.2 pttt -165.16 158.33 13.96 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HA ' ' HG3' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.95 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.669 HG21 ' HA ' ' A' ' 64' ' ' GLU . 24.0 pt -107.24 160.21 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 124.07 51.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.5 t -116.46 117.11 54.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.8 m -88.37 124.72 34.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.714 HD12 ' CG ' ' A' ' 20' ' ' LYS . 13.6 mt -63.51 161.37 35.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.01 3.37 5.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.87 -16.57 16.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.22 5.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.714 ' CG ' HD12 ' A' ' 16' ' ' LEU . 25.1 tttt -59.73 155.62 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -113.32 153.85 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 23' ' ' ASP . 90.6 t -136.54 167.56 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.546 ' N ' HG12 ' A' ' 22' ' ' VAL . 16.9 m-20 -112.23 126.81 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.678 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -140.72 179.11 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.3 mt-10 -133.82 142.21 47.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.0 p -64.47 130.33 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.3 m95 60.97 33.8 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 107.973 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 8.9 mttm -136.68 -66.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.91 ' O ' HD22 ' A' ' 62' ' ' LEU . 76.2 m -99.81 144.5 28.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.11 176.44 1.57 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.99 -20.12 17.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -72.0 -34.07 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -78.31 -53.81 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.404 HG21 HD23 ' A' ' 68' ' ' LEU . 1.1 mt -41.92 -50.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -65.87 -49.17 69.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.88 -56.84 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.3 -56.76 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 42' ' ' LEU . 5.1 mt -52.75 166.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.523 ' N ' HG22 ' A' ' 38' ' ' ILE . 68.3 m -39.37 130.1 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.047 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -52.52 123.95 12.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.78 -36.23 2.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -54.47 -49.02 71.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.23 88.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.01 -43.89 78.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -86.66 51.78 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.775 HG23 ' HB3' ' A' ' 70' ' ' LEU . 27.8 m -131.64 121.46 24.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.35 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.772 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -94.42 -50.14 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.511 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 11.5 mm -151.01 127.99 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.32 133.39 35.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -98.94 146.7 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.847 HG13 ' SG ' ' A' ' 66' ' ' CYS . 42.8 t -132.59 98.66 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.8 t-20 81.65 24.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.4 t-20 81.92 19.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.89 135.9 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.5 t -50.73 127.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 6.9 t-105 -128.52 155.05 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.024 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 25.6 m-20 -91.9 146.65 23.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -26.65 59.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.46 4.37 46.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 1.6 ttm180 -116.79 126.35 27.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.16 33.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -51.85 178.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 7.8 mt-10 -117.73 -36.79 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.669 ' HA ' HG21 ' A' ' 12' ' ' ILE . 11.9 pt-20 -172.21 179.33 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -41.3 109.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.847 ' SG ' HG13 ' A' ' 51' ' ' VAL . 12.0 p -152.1 175.78 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 108.318 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.4 p -95.51 164.97 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.515 HD13 ' HB3' ' A' ' 31' ' ' PRO . 18.8 tp -131.01 129.55 42.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' N ' HD12 ' A' ' 68' ' ' LEU . 49.8 tt0 -142.85 123.47 14.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.775 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.8 OUTLIER -91.37 129.74 37.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CB ' HG12 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -94.58 154.02 17.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.01 -31.53 14.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.772 ' HA ' HG21 ' A' ' 47' ' ' VAL . 37.7 t80 -173.06 134.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.31 71.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 60.27 106.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -42.52 116.1 0.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.14 146.94 31.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.18 173.14 10.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.44 -62.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.88 71.22 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p -167.58 154.28 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.71 97.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -49.3 150.25 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.85 -90.08 0.61 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 111.41 3.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.85 100.25 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.09 158.69 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -105.57 93.66 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.035 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t 61.08 82.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.8 -64.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -81.98 -58.08 3.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.048 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.8 116.09 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.95 135.88 12.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -171.27 140.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.5 p -67.05 165.33 15.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 1.4 pttp -155.84 174.64 3.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.08 124.58 8.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 64' ' ' GLU . 14.7 pt -127.88 148.76 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.44 136.04 45.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.586 HG11 HD12 ' A' ' 34' ' ' ILE . 40.6 t -132.83 113.43 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -88.39 133.1 34.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' A' ' 20' ' ' LYS . 98.9 mt -68.75 161.08 74.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.99 1.8 7.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.19 -9.82 18.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.69 -32.16 5.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.21 167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -130.32 147.84 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.85 161.04 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -105.44 132.63 51.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -141.22 171.67 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 11.3 mt-10 -126.5 142.76 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.3 p -63.77 140.09 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.1 m95 49.82 29.92 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.027 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -129.14 -67.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.627 ' O ' HD22 ' A' ' 62' ' ' LEU . 63.2 m -98.67 153.24 18.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.22 175.64 2.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.5 Cg_endo -74.96 -21.55 15.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.4 t80 -71.44 -39.3 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -71.28 -54.78 9.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.586 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -40.82 -64.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' O ' HD12 ' A' ' 38' ' ' ILE . . . -41.47 -67.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.09 -42.3 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.49 -60.13 2.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 35' ' ' ALA . 2.8 mp -41.51 -71.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -161.47 143.06 11.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -58.98 116.08 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.97 -29.85 3.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.552 1.158 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.21 -50.45 63.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.85 -41.48 91.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.98 -46.57 78.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -82.64 60.38 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 70' ' ' LEU . 18.3 m -137.48 144.42 42.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 1.3 p -118.78 -49.87 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.62 HG22 HD22 ' A' ' 71' ' ' LEU . 5.5 mm -151.67 123.47 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.01 134.77 34.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.525 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 18.5 mttp -98.91 149.54 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.912 HG13 ' SG ' ' A' ' 66' ' ' CYS . 39.1 t -135.79 98.41 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 80.65 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 4.1 t-20 81.56 20.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.09 135.88 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.79 133.71 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.557 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -137.01 148.78 47.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 10.3 m-20 -83.96 153.0 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 mt -79.52 -33.09 42.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.25 -4.97 57.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -104.62 123.5 40.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.22 33.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.561 1.822 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.627 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -55.19 171.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -110.56 -37.87 5.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 13.7 pt-20 -167.64 174.99 7.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.153 . . . . 0.0 110.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -40.46 114.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.912 ' SG ' HG13 ' A' ' 51' ' ' VAL . 25.5 p -152.05 178.0 9.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 108.265 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.3 p -96.32 155.08 16.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 31' ' ' PRO . 26.0 tp -123.41 129.91 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -142.88 115.95 8.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -84.09 132.22 34.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -96.45 154.98 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 6.34 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 75' ' ' ASP . 1.8 t80 -170.7 155.99 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.483 ' OE1' ' CG2' ' A' ' 81' ' ' VAL . 10.6 pt-20 -127.85 61.6 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 2.1 t70 -125.65 84.17 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -149.44 -55.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.13 168.73 19.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.01 176.53 5.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 64.58 156.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 46.68 66.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.483 ' CG2' ' OE1' ' A' ' 74' ' ' GLU . 3.1 p -154.4 -53.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.421 ' H ' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -139.64 101.51 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.6 p -106.68 -56.38 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.1 179.2 16.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 75.53 3.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.67 -68.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 m 61.98 106.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -134.58 -58.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.54 -58.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.4 116.29 1.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.7 85.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -169.84 134.46 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.43 114.48 2.26 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -100.79 124.28 46.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p -70.08 163.85 25.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 158.7 27.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 108.82 2.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.576 1.83 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.814 HG21 ' HA ' ' A' ' 64' ' ' GLU . 22.4 pt -103.69 169.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 135.21 54.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.522 HG11 HD12 ' A' ' 34' ' ' ILE . 39.4 t -128.2 114.77 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.4 m -85.35 136.78 33.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD12 ' HB3' ' A' ' 20' ' ' LYS . 86.0 mt -73.19 161.44 79.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.03 1.9 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 -8.52 16.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.36 -32.12 6.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.655 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.97 169.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -132.7 151.07 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 23' ' ' ASP . 39.2 t -142.27 163.87 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' N ' HG12 ' A' ' 22' ' ' VAL . 4.9 p-10 -103.36 137.14 41.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -140.11 176.82 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 33.4 mt-10 -137.22 125.26 22.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -54.48 122.24 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.3 m95 65.5 40.05 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 108.055 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 1.5 mttt -145.06 -64.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.685 ' O ' HD22 ' A' ' 62' ' ' LEU . 79.6 m -96.32 154.7 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 1.1 p -123.64 173.94 4.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.59 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -75.0 -24.15 13.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.9 t80 -71.06 -35.87 72.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' ILE . 20.4 mt-30 -73.5 -55.15 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.522 HD12 HG11 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -40.13 -65.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 38' ' ' ILE . . . -47.17 -43.7 21.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -49.47 77.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 108.346 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ILE . . . -42.64 -53.91 5.06 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.534 1.147 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 16' ' ' LEU . 1.9 mp -40.46 -71.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -166.39 142.39 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.42 110.23 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 144.59 -42.15 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -55.07 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.69 -18.03 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -76.87 -28.77 55.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -108.95 63.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.931 HG21 HD12 ' A' ' 70' ' ' LEU . 2.9 m -147.08 164.91 31.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.609 HG11 ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -127.34 -82.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.448 HG21 HG13 ' A' ' 55' ' ' VAL . 8.0 mm -119.98 131.43 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.82 134.3 34.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' NZ ' ' OE1' ' A' ' 74' ' ' GLU . 14.7 mttp -99.78 128.72 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.861 HG13 ' SG ' ' A' ' 66' ' ' CYS . 42.8 t -113.82 98.04 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.1 t-20 78.85 31.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 22.4 m-20 76.59 17.22 1.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -124.11 136.4 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.709 HG21 ' CG ' ' A' ' 76' ' ' GLU . 38.9 t -52.47 130.85 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.431 ' CB ' HG23 ' A' ' 51' ' ' VAL . 5.8 t-105 -139.4 128.49 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.19 148.52 51.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.5 mt -69.2 -39.63 78.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -84.28 50.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.41 ' O ' ' HB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -158.14 129.4 3.8 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.56 34.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.71 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -60.07 -177.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' CZ2' ' A' ' 56' ' ' TRP . 2.9 mt-10 -116.97 -35.67 4.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.814 ' HA ' HG21 ' A' ' 12' ' ' ILE . 10.9 pt-20 -171.46 -175.25 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -48.59 113.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.861 ' SG ' HG13 ' A' ' 51' ' ' VAL . 6.2 p -152.16 -179.11 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.2 p -104.46 149.58 25.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 31' ' ' PRO . 16.5 tp -115.28 121.99 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.04 109.67 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.931 HD12 HG21 ' A' ' 46' ' ' THR . 1.4 mm? -83.17 121.13 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.643 HD23 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -76.61 153.43 35.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -32.41 24.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.609 ' HA ' HG11 ' A' ' 47' ' ' VAL . 3.8 m-85 -152.62 -44.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.643 ' HG2' HD23 ' A' ' 71' ' ' LEU . 5.0 tt0 -40.17 134.13 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -132.7 60.2 1.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.709 ' CG ' HG21 ' A' ' 55' ' ' VAL . 0.2 OUTLIER 76.61 -63.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -177.76 -61.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -176.97 155.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 73.31 -60.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.98 88.61 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.563 HG13 ' H ' ' A' ' 82' ' ' TYR . 3.4 p -158.45 -57.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.563 ' H ' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER 61.46 94.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.7 m -116.29 -55.72 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.037 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.69 -172.17 35.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.74 105.77 5.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.66 137.66 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m 56.65 169.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -69.27 145.37 53.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.29 -173.45 40.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m 60.77 112.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -165.7 108.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.07 145.75 9.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -169.42 127.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -68.44 173.54 4.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -168.46 158.41 8.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 109.14 2.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 64' ' ' GLU . 16.3 pt -104.76 172.33 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -124.55 135.88 53.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 41.6 t -128.26 137.67 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.0 m -104.54 131.74 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 68.9 mt -69.59 161.28 75.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 3.07 5.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -102.83 -14.02 16.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.3 -31.78 5.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 166.15 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.91 157.67 35.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -142.83 176.39 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.35 134.06 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -140.8 179.24 6.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 6.3 mt-10 -137.13 133.62 35.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -61.07 131.0 49.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.551 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 15.3 m95 59.1 35.69 23.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.14 -63.44 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.836 ' O ' HD22 ' A' ' 62' ' ' LEU . 42.7 m -102.89 145.21 30.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.402 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.7 OUTLIER -114.77 176.62 1.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.0 -28.94 8.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.5 t80 -65.39 -31.8 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' ILE . 30.7 mt-30 -77.87 -57.54 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' GLN . 1.1 mt -40.3 -51.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' O ' HD12 ' A' ' 38' ' ' ILE . . . -49.74 -60.36 2.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -42.99 -44.34 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.07 -57.29 2.09 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 35' ' ' ALA . 2.9 mp -42.42 -69.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -157.58 125.65 5.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.942 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.28 107.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.53 -48.73 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.48 -58.76 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.84 -61.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -53.35 5.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -91.42 84.93 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.9 m -145.21 147.19 32.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.952 HG21 ' N ' ' A' ' 73' ' ' PHE . 47.9 t -92.84 -74.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 48' ' ' ILE . 5.2 mm -150.31 136.48 12.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.58 139.21 34.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 16.3 mttp -100.6 146.1 27.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.955 HG13 ' SG ' ' A' ' 66' ' ' CYS . 41.5 t -131.55 97.18 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.1 t-20 82.66 24.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 11.6 t30 82.24 19.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.25 133.06 62.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.4 t -45.86 136.08 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.482 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -140.71 124.78 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -59.52 142.61 52.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.9 mt -66.48 -39.18 88.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -85.67 49.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -154.74 126.85 3.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.79 32.98 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -62.86 175.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 30.4 mt-10 -110.75 -34.07 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.77 ' HA ' HG21 ' A' ' 12' ' ' ILE . 15.7 pt-20 -171.15 174.08 4.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -40.64 119.71 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.955 ' SG ' HG13 ' A' ' 51' ' ' VAL . 29.4 p -152.49 -177.12 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.35 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 p -103.68 141.97 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 31' ' ' PRO . 49.8 tp -108.11 140.65 40.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.27 108.51 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.69 124.76 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.451 HD21 ' NZ ' ' A' ' 50' ' ' LYS . 1.2 mp -86.21 140.24 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 42.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.952 ' N ' HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER 173.0 141.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.624 ' HB3' HG13 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -110.79 177.27 4.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.546 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER 172.61 101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 3.5 mt-10 163.08 157.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.69 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 1.2 tp10 -90.97 64.54 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 83.46 -143.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 71.32 -71.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.06 -35.3 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 m -107.57 -166.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -126.35 123.88 39.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 p -112.46 118.78 36.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.959 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.46 -79.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.87 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 m 51.96 81.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.936 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.25 151.18 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.001 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -71.09 95.52 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.032 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -165.83 118.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.93 165.11 24.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -65.79 -59.14 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 0.799 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -155.37 157.32 36.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.68 130.9 8.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -64.43 162.36 15.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -57.12 173.98 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -163.62 157.77 16.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.22 3.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.754 HG21 ' HA ' ' A' ' 64' ' ' GLU . 15.3 pt -109.02 170.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 132.2 53.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 HD12 ' A' ' 34' ' ' ILE . 76.9 t -122.78 114.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -87.18 124.78 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 20' ' ' LYS . 33.1 mt -61.5 160.43 25.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -74.99 2.05 7.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -103.44 -11.21 17.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.96 -32.13 5.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.693 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.18 166.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -124.22 154.76 39.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.6 t -142.13 158.58 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -102.86 128.63 49.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.48 178.79 6.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.2 mt-10 -137.14 138.67 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 p -64.65 128.05 34.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.554 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.7 m95 60.57 39.79 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 107.981 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -143.59 -67.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.875 ' O ' HD22 ' A' ' 62' ' ' LEU . 86.4 m -101.2 140.16 35.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -111.39 176.32 1.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -75.02 -21.58 15.66 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.816 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -69.88 -31.94 70.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -87.05 -34.85 19.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 30' ' ' THR . 1.6 mt -59.2 -43.63 90.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -71.58 -39.62 70.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -43.91 68.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.94 -39.97 19.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mm -51.38 -76.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 0.74 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 m -167.35 129.82 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -43.37 118.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.99 -47.63 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.496 HD22 ' HB1' ' A' ' 35' ' ' ALA . 3.7 tt -47.19 -50.98 19.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.28 -63.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -44.48 -48.11 10.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.168 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.59 -49.89 75.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.871 HG23 ' HB3' ' A' ' 70' ' ' LEU . 23.1 m -47.08 140.71 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -104.7 -50.02 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.847 HG22 HD12 ' A' ' 71' ' ' LEU . 1.5 mm -152.79 145.34 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 68' ' ' LEU . . . -107.41 136.88 46.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -98.59 124.69 43.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.842 HG13 ' SG ' ' A' ' 66' ' ' CYS . 52.2 t -112.62 102.95 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 1.4 t-20 78.23 25.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.4 t-20 80.45 21.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -130.64 139.01 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -52.81 129.32 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.45 ' CB ' HG23 ' A' ' 51' ' ' VAL . 6.2 t-105 -133.6 124.99 27.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 107.987 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -64.77 143.12 58.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -38.66 91.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 49.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -157.54 124.78 2.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 146.08 32.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.545 1.813 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -61.38 174.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 36.5 mt-10 -109.56 -34.95 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.754 ' HA ' HG21 ' A' ' 12' ' ' ILE . 2.7 pt-20 -170.59 179.46 3.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -47.31 116.06 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.842 ' SG ' HG13 ' A' ' 51' ' ' VAL . 4.4 p -151.92 174.65 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 p -95.28 135.51 36.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD11 ' HB1' ' A' ' 49' ' ' ALA . 47.6 tp -107.99 134.7 50.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -145.58 111.75 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.871 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.7 OUTLIER -70.63 144.56 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.847 HD12 HG22 ' A' ' 48' ' ' ILE . 83.8 mt -109.66 154.8 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -103.1 -12.73 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.475 ' N ' HG11 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -162.7 146.65 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -95.05 -178.21 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.22 124.14 28.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.72 112.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.711 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -145.53 -67.59 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 86.53 -45.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' ALA . 6.3 mm-40 -37.76 -51.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.29 89.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 82' ' ' TYR . 10.9 p -150.16 -49.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 8.8 p90 -93.71 127.83 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.73 135.09 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.75 -85.65 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.29 4.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 t -173.63 -54.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.9 p -148.88 134.09 18.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.55 123.73 16.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -133.87 161.48 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.89 -149.07 19.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.99 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 p -173.54 -59.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.4 83.93 0.64 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -175.27 138.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 p -62.32 154.17 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -148.3 158.21 41.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 18.3 Cg_endo -75.03 109.19 2.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.907 HG21 ' HA ' ' A' ' 64' ' ' GLU . 44.2 pt -106.01 173.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 123.65 38.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 34' ' ' ILE . 62.8 t -112.11 116.85 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 m -87.23 124.93 33.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 20' ' ' LYS . 14.2 mt -63.77 161.33 37.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 2.94 6.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.508 1.793 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.06 -15.48 16.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.06 -32.24 5.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -56.13 163.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -125.57 150.3 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.04 163.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 131.74 46.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.95 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 14.0 mt-10 -136.97 125.61 23.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.7 p -57.76 132.38 53.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 12.5 m95 61.07 30.41 19.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 4.4 mttm -136.77 -76.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 30' ' ' THR . 69.1 m -76.91 171.77 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.493 ' N ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -135.76 166.78 25.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.508 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.94 -19.76 17.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.031 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.5 t80 -80.93 -32.77 34.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -74.27 -48.85 25.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.497 HD12 HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -43.37 -46.49 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -60.33 3.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.6 -40.55 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.0 -60.55 3.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.3 mt -42.68 -64.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -172.07 134.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.59 115.21 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.52 -34.5 2.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 42' ' ' LEU . 1.4 tt -61.27 -35.94 78.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.11 -11.71 59.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -79.92 -15.6 56.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -118.48 62.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.0 m -146.93 156.57 43.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG21 ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -121.75 -58.28 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 55' ' ' VAL . 8.2 mm -146.08 132.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' HB1' ' CD1' ' A' ' 68' ' ' LEU . . . -90.9 138.14 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.8 mttp -101.48 124.3 46.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.893 HG13 ' SG ' ' A' ' 66' ' ' CYS . 44.3 t -109.85 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.9 35.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 71.2 24.43 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.08 138.3 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 48' ' ' ILE . 39.5 t -52.34 130.46 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.464 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.1 t-105 -140.1 124.95 18.35 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.01 145.66 55.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -72.02 -24.07 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.94 35.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' C ' HG22 ' A' ' 30' ' ' THR . 4.2 ttt180 -141.99 133.68 13.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.72 32.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -62.14 179.46 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 10.3 mt-10 -114.13 -37.46 4.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.907 ' HA ' HG21 ' A' ' 12' ' ' ILE . 7.4 pt-20 -177.23 -176.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -41.53 112.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.893 ' SG ' HG13 ' A' ' 51' ' ' VAL . 22.8 p -151.96 -175.2 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 p -111.18 147.41 35.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.544 ' CD1' ' HB1' ' A' ' 49' ' ' ALA . 38.3 tp -110.92 138.74 46.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' H ' HD12 ' A' ' 68' ' ' LEU . 20.0 tt0 -151.39 108.35 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 131.28 36.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -84.84 153.12 23.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.58 -30.84 20.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' N ' HG21 ' A' ' 47' ' ' VAL . 6.2 t80 -163.72 155.16 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -144.93 161.68 38.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 76' ' ' GLU . 3.4 t0 -158.38 98.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER 175.45 86.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 62.01 155.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' GLN . . . -93.97 -73.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 78' ' ' ALA . 13.5 pt20 38.53 80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.253 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 40.9 73.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 81' ' ' VAL . 2.4 p -98.32 6.47 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -164.25 173.13 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -97.11 -54.39 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.18 169.3 18.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 67.14 6.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.57 -91.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -113.11 128.08 56.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 t -93.51 106.59 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.69 86.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.14 123.31 7.83 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -88.66 159.6 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 m -94.62 -61.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.44 131.06 3.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -170.2 160.49 7.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.4 t -100.31 141.73 32.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -135.87 173.76 5.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.88 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.671 HG21 ' HA ' ' A' ' 64' ' ' GLU . 17.4 pt -113.0 163.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 122.01 41.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.38 113.19 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.5 m -87.63 124.77 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 5.0 mt -64.43 162.03 37.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 3.08 5.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.6 -17.37 17.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.05 -32.15 5.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.61 170.1 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -126.62 159.18 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 23' ' ' ASP . 45.1 t -141.25 165.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' N ' HG12 ' A' ' 22' ' ' VAL . 2.3 m-20 -104.66 122.82 46.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -137.92 176.74 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' CA ' HG12 ' A' ' 12' ' ' ILE . 26.6 mt-10 -136.83 139.3 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 9' ' ' SER . 16.0 p -60.16 128.87 38.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 19.0 m95 60.29 36.02 20.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 4.2 mttm -134.26 -73.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.578 ' O ' HD22 ' A' ' 62' ' ' LEU . 67.3 m -86.78 168.78 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.632 HG22 ' HA ' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -132.17 167.33 22.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.586 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.04 -20.02 17.2 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 7.0 t80 -80.77 -33.06 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -74.08 -47.88 33.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -43.8 -54.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 38' ' ' ILE . . . -60.42 -60.88 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.47 -58.14 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.28 -37.86 3.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 35' ' ' ALA . 54.9 mt -76.5 -58.47 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -145.68 133.91 21.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.84 109.09 20.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 44' ' ' ASP . . . 152.67 -73.72 0.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 pp -42.01 -40.49 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.82 -49.87 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' GLY . 4.8 t0 -50.12 -41.52 48.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -102.41 82.37 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.84 HG21 HD12 ' A' ' 70' ' ' LEU . 1.2 m -158.94 104.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.763 HG11 ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -39.84 -89.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.825 HG21 HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -137.71 151.33 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.796 ' HB2' HD13 ' A' ' 70' ' ' LEU . . . -96.47 145.03 26.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -98.63 130.08 45.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.831 HG13 ' SG ' ' A' ' 66' ' ' CYS . 37.1 t -117.42 107.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.8 t-20 75.67 22.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 16.9 t-20 82.54 20.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -131.38 138.56 52.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.825 HG13 HG21 ' A' ' 48' ' ' ILE . 55.2 t -46.87 136.82 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 3.9 t-105 -145.94 127.48 15.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -66.35 143.08 57.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -70.27 -13.26 62.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.82 -30.36 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -77.59 126.29 84.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.01 147.01 33.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.56 175.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.4 mt-10 -117.29 -37.71 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.671 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.9 pt-20 -173.5 -178.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -40.81 109.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.831 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.8 p -152.17 -176.9 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -102.13 172.17 7.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.397 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 31' ' ' PRO . 13.0 tp -138.55 125.65 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.6 tt0 -144.16 111.26 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.84 HD12 HG21 ' A' ' 46' ' ' THR . 1.1 mm? -82.23 126.94 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -81.61 154.13 26.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -92.63 -24.02 18.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.763 ' HA ' HG11 ' A' ' 47' ' ' VAL . 6.4 t80 166.38 140.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -100.45 167.21 10.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -151.83 76.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -144.81 -60.23 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -139.15 -178.52 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.25 -178.39 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.467 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.3 mm-40 61.95 120.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . 69.98 49.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.245 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.8 t -134.97 -61.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -129.61 120.06 24.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.9 p -83.46 169.61 15.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.4 -141.51 3.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.66 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.3 t -169.73 99.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -93.47 114.89 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 p -94.43 120.53 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.32 99.5 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.94 155.7 24.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.96 119.98 16.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -82.19 101.17 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 156.08 26.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -169.25 133.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t -78.72 140.0 38.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HE2' HG22 ' A' ' 12' ' ' ILE . 3.9 pttt -139.52 159.02 67.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 110.32 3.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.879 HG21 ' HA ' ' A' ' 64' ' ' GLU . 22.4 pt -105.62 170.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.27 121.68 39.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG11 HD12 ' A' ' 34' ' ' ILE . 54.5 t -115.33 121.42 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.2 m -93.54 133.54 36.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.422 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 88.0 mt -71.12 161.81 76.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.641 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.03 2.93 6.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -103.53 -14.5 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 -31.99 5.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 168.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.743 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -131.1 149.63 52.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 t -137.85 158.32 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -101.32 124.43 47.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -133.73 179.14 6.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 23.8 mt-10 -134.9 133.72 39.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 p -63.44 120.94 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 7.6 m95 72.74 36.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.24 -61.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.828 ' O ' HD22 ' A' ' 62' ' ' LEU . 69.9 m -99.39 148.09 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.64 174.58 2.74 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.646 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.1 Cg_endo -74.97 -21.3 16.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -73.77 -31.27 63.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -78.62 -53.7 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.449 HD12 HG11 ' A' ' 14' ' ' VAL . 1.1 mt -42.8 -60.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.31 74.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -20.38 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.45 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -99.5 34.42 5.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.558 HG21 HD13 ' A' ' 42' ' ' LEU . 19.5 mm -122.84 -74.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 p -160.66 138.53 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -58.75 108.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.38 -22.85 4.37 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.558 HD13 HG21 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -68.6 -70.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.79 -31.07 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.98 -46.93 88.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -87.61 52.38 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.849 HG23 ' HB3' ' A' ' 70' ' ' LEU . 85.9 m -128.62 130.15 46.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -98.84 -50.31 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.507 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 20.7 mm -148.35 143.05 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -104.15 131.85 51.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -98.36 138.03 36.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.888 HG13 ' SG ' ' A' ' 66' ' ' CYS . 37.7 t -125.23 100.72 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.2 t-20 76.35 25.7 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 34.8 t30 81.88 19.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.88 128.49 67.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -44.67 134.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ALA . 6.1 t-105 -140.54 134.03 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.21 143.68 48.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -34.43 77.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -87.89 45.51 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -155.3 130.47 5.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.63 34.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -58.44 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 11.6 mt-10 -116.03 -34.39 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HA ' HG21 ' A' ' 12' ' ' ILE . 16.2 pt-20 -178.29 179.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -40.09 109.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.888 ' SG ' HG13 ' A' ' 51' ' ' VAL . 23.5 p -152.2 170.79 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 p -93.42 149.66 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD13 ' HB3' ' A' ' 31' ' ' PRO . 30.7 tp -116.23 131.94 56.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -144.73 122.88 12.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.849 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.8 OUTLIER -86.88 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' CB ' HG12 ' A' ' 47' ' ' VAL . 2.6 mp -99.59 154.93 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -22.18 15.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.536 ' HA ' HG21 ' A' ' 47' ' ' VAL . 35.1 t80 -175.09 134.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' HG3' HD23 ' A' ' 71' ' ' LEU . 0.2 OUTLIER -148.55 48.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 71.21 104.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.97 108.75 21.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 9.3 pt-20 -148.0 -54.5 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 77' ' ' GLU . . . 179.62 -171.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 67.63 -75.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.51 91.22 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG23 ' H ' ' A' ' 82' ' ' TYR . 13.7 m -130.5 -55.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.488 ' H ' HG23 ' A' ' 81' ' ' VAL . 49.1 m-85 -146.94 176.36 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -84.37 104.4 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -154.76 -155.32 7.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.38 4.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 p -171.87 128.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.7 m 56.64 98.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.97 160.1 35.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -136.31 -58.48 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.21 -173.11 34.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 p -112.84 141.58 46.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -164.78 99.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.84 101.97 0.53 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.21 156.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 t -91.11 162.04 14.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.41 157.94 64.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.433 ' N ' ' OE2' ' A' ' 25' ' ' GLU . 18.2 Cg_endo -75.05 111.66 3.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.898 HG21 ' HA ' ' A' ' 64' ' ' GLU . 12.3 pt -109.54 164.68 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.48 125.91 54.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 34' ' ' ILE . 53.5 t -117.82 111.85 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -85.12 128.49 34.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' CD2' HD11 ' A' ' 38' ' ' ILE . 20.5 mt -66.43 161.09 61.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 3.17 5.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -102.93 -14.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.61 -32.24 5.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD12 ' A' ' 16' ' ' LEU . 1.3 mmmt -56.3 165.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.76 153.03 44.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.36 161.22 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.38 128.46 45.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -135.61 174.55 10.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 11' ' ' PRO . 1.5 mm-40 -134.44 137.04 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.5 p -64.69 130.9 45.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 59.53 34.1 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 107.997 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -138.58 -62.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.596 ' O ' HD22 ' A' ' 62' ' ' LEU . 52.8 m -99.08 158.15 15.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.405 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.7 p -127.86 172.77 6.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.696 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.4 Cg_endo -74.94 -19.23 18.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.9 t80 -75.05 -34.38 61.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -76.5 -47.87 21.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 38' ' ' ILE . 1.1 mt -49.86 -62.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 38' ' ' ILE . . . -47.5 -46.76 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.8 t -57.23 -52.8 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.28 -60.91 1.06 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 34' ' ' ILE . 3.7 mp -40.21 -66.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -157.57 123.0 4.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -51.72 116.02 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.26 -50.5 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.09 -54.8 18.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.18 -52.02 65.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -29.6 24.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -117.27 73.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.846 HG21 HD12 ' A' ' 70' ' ' LEU . 19.0 m -139.38 115.95 10.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.765 HG21 ' N ' ' A' ' 73' ' ' PHE . 3.9 t -61.85 -73.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 48' ' ' ILE . 18.8 mm -143.84 135.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.11 132.35 40.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HD2' HD21 ' A' ' 71' ' ' LEU . 32.7 mttp -99.45 132.14 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.818 HG13 ' SG ' ' A' ' 66' ' ' CYS . 39.9 t -117.59 102.7 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.1 28.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.3 t30 77.74 21.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.12 134.62 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -47.54 134.34 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.2 t-105 -139.97 145.9 38.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 4.9 m-20 -80.11 151.32 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -76.17 -28.79 57.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.19 -31.41 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.466 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 12.2 ttt85 -76.7 123.24 87.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 147.36 34.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -50.41 175.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 1.7 mt-10 -115.48 -39.06 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.898 ' HA ' HG21 ' A' ' 12' ' ' ILE . 13.0 pt-20 -169.26 -177.51 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 p-10 -43.59 110.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.818 ' SG ' HG13 ' A' ' 51' ' ' VAL . 9.7 p -152.18 173.47 14.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.291 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 p -100.21 144.86 28.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 31' ' ' PRO . 26.1 tp -108.35 132.24 53.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.99 120.15 12.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.846 HD12 HG21 ' A' ' 46' ' ' THR . 1.2 mm? -90.53 120.93 32.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.47 HD21 ' HD2' ' A' ' 50' ' ' LYS . 29.5 mt -85.45 154.21 21.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' C ' HG21 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -107.73 22.19 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.765 ' N ' HG21 ' A' ' 47' ' ' VAL . 7.9 t80 177.58 151.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' N ' HG11 ' A' ' 47' ' ' VAL . 3.8 mt-10 -64.65 118.89 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -108.53 -6.92 15.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 176.82 68.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -176.26 140.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.48 -56.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.75 123.2 25.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 61.44 105.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 82' ' ' TYR . 9.9 p -165.6 -50.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.478 ' N ' HG13 ' A' ' 81' ' ' VAL . 67.9 m-85 -54.32 -54.26 42.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.4 -58.0 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.23 -145.01 17.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.15 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 132.71 15.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.444 1.76 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.2 t -81.86 126.38 31.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.1 p -124.37 142.48 51.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -108.45 -59.0 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m 63.35 83.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 110.065 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.24 137.56 13.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -77.6 -62.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.037 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.39 -58.64 7.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.98 169.14 25.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.55 137.18 41.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 p -75.51 177.98 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.89 158.09 21.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.728 HG21 ' HA ' ' A' ' 64' ' ' GLU . 27.6 pt -108.62 168.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 129.39 54.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.588 HG11 HD12 ' A' ' 34' ' ' ILE . 46.1 t -121.0 112.94 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -85.59 130.33 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 20' ' ' LYS . 74.3 mt -66.82 160.84 66.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.054 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -104.3 -12.01 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.36 -32.14 5.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -53.2 162.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 0.803 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -122.11 147.5 46.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 23' ' ' ASP . 62.0 t -131.59 166.55 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.7 m-20 -117.08 123.3 46.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.87 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -139.78 179.31 6.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 20.6 mt-10 -132.15 142.71 49.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 p -61.39 137.1 58.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 21.1 m95 56.66 21.55 5.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 107.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 3.0 mttm -120.44 -78.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.87 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . 98.3 m -81.03 162.09 23.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -126.81 168.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.3 Cg_endo -74.99 -20.19 17.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 5.8 t80 -79.7 -35.11 39.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 34' ' ' ILE . 11.1 mt-30 -71.41 -51.28 24.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.588 HD12 HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -40.3 -66.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . . . -41.68 -64.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.07 -43.67 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 108.284 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.16 -59.54 5.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD13 HD13 ' A' ' 42' ' ' LEU . 2.9 mp -41.47 -73.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 t -163.25 142.01 8.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 107.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.11 -35.82 1.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 38' ' ' ILE . 1.2 tt -64.06 -50.67 67.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.65 72.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.84 -31.39 70.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -106.2 65.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.889 HG23 ' HB3' ' A' ' 70' ' ' LEU . 17.4 m -139.81 138.72 36.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -114.5 -49.61 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.746 HD11 HG22 ' A' ' 81' ' ' VAL . 15.0 mm -149.9 130.56 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -94.15 133.32 37.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 14.3 mttp -98.72 132.54 44.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.875 HG13 ' SG ' ' A' ' 66' ' ' CYS . 50.0 t -120.16 97.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 79.18 35.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.08 23.21 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -131.45 132.54 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -47.81 132.31 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.5 ' CG ' HG21 ' A' ' 51' ' ' VAL . 6.6 t-105 -136.1 150.66 49.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 36.9 m-20 -84.33 154.14 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -82.85 -18.99 38.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.45 -18.1 22.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 21.6 ttt180 -90.3 127.54 52.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.597 ' HA ' HG22 ' A' ' 30' ' ' THR . 18.3 Cg_endo -74.95 146.96 33.49 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.637 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -54.98 173.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -113.19 -38.7 4.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.728 ' HA ' HG21 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -170.14 -177.29 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.237 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.7 113.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.875 ' SG ' HG13 ' A' ' 51' ' ' VAL . 6.9 p -152.09 -176.88 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.3 p -98.34 170.4 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 31' ' ' PRO . 36.7 tp -141.16 124.19 16.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -139.82 109.45 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.889 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.9 OUTLIER -75.5 125.48 29.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CB ' HG12 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -89.55 154.22 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.32 -30.65 15.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.624 ' HA ' HG21 ' A' ' 47' ' ' VAL . 46.1 t80 -174.18 134.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.4 163.09 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -172.24 94.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -179.3 -76.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.673 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -110.27 -57.97 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 82.01 -58.85 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 65.26 -74.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -133.69 74.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.746 HG22 HD11 ' A' ' 48' ' ' ILE . 46.0 t -127.63 -70.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.649 ' CD1' ' N ' ' A' ' 83' ' ' SER . 22.7 p90 -49.83 -38.44 34.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.649 ' N ' ' CD1' ' A' ' 82' ' ' TYR . 2.7 m 48.19 94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.63 111.5 4.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.9 m 63.67 146.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.05 84.93 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -90.03 127.11 35.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -114.47 -58.19 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.18 94.82 1.89 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.435 1.084 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -156.73 -59.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.984 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -131.07 153.77 48.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.7 120.01 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -45.27 159.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p -61.8 175.88 0.6 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 109.945 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 2.2 pttm -164.71 158.7 15.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.28 2.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.597 HG13 ' HB3' ' A' ' 24' ' ' ALA . 26.5 pt -105.55 156.79 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -110.29 136.34 49.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG11 HD13 ' A' ' 34' ' ' ILE . 51.3 t -131.25 116.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m -90.85 125.03 35.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' A' ' 20' ' ' LYS . 36.4 mt -60.1 160.09 18.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.0 1.36 7.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -103.22 -11.6 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.7 -32.2 5.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.775 ' HB3' HD12 ' A' ' 16' ' ' LEU . 5.9 mtmm -54.74 164.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 0.779 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' NE2' ' HE2' ' A' ' 13' ' ' LYS . 75.1 mt-30 -121.39 154.56 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 23' ' ' ASP . 45.6 t -143.31 161.07 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -103.44 133.1 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' HB3' HG13 ' A' ' 12' ' ' ILE . . . -137.63 171.08 14.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 34.8 mt-10 -134.11 131.52 38.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -57.3 134.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.9 m95 51.24 40.58 26.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 107.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 25' ' ' GLU . 9.0 mmmt -142.16 -74.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.55 ' O ' HD22 ' A' ' 62' ' ' LEU . 54.4 m -94.29 153.86 17.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.465 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -122.4 179.72 0.94 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.648 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.03 -30.4 7.17 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.514 1.797 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.524 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 4.5 t80 -66.09 -47.33 74.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -71.61 -25.79 62.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 HG11 ' A' ' 14' ' ' VAL . 12.3 mt -63.42 -60.04 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -49.32 -58.19 5.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . 11.9 t -41.95 -42.49 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 108.281 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.66 -59.01 3.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.12 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 35' ' ' ALA . 2.7 mp -44.13 -75.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.2 t -154.27 133.23 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.26 113.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.34 -50.09 0.6 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.24 -51.37 54.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.71 -49.52 67.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -45.77 -53.22 9.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -91.54 80.37 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.636 HG23 ' HB3' ' A' ' 70' ' ' LEU . 57.2 m -148.3 126.78 12.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.712 HG11 ' C ' ' A' ' 73' ' ' PHE . 36.5 t -86.9 -73.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.611 HG21 HG13 ' A' ' 55' ' ' VAL . 6.4 mm -141.91 137.03 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -97.79 137.56 36.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -98.9 138.57 35.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.919 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.7 t -123.97 97.95 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.5 t-20 80.12 30.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.5 t30 76.25 20.88 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.69 130.08 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 48' ' ' ILE . 28.6 t -44.64 138.06 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.507 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.8 t-105 -141.81 133.02 26.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -71.35 139.29 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.524 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.2 mt -65.44 -31.73 72.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -89.11 46.04 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -157.3 129.69 4.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.43 32.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.616 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -57.79 -177.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -117.71 -36.38 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.1 pt-20 -172.78 175.68 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.01 115.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.919 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.7 p -152.07 -176.17 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 p -107.69 143.35 36.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 31' ' ' PRO . 62.3 tp -107.96 137.93 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -153.68 106.86 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.668 HD22 ' H ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -74.88 138.49 42.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ILE . 1.6 mp -97.23 147.95 23.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.555 ' C ' HG21 ' A' ' 47' ' ' VAL . 1.2 ttmt -102.62 18.41 21.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.712 ' C ' HG11 ' A' ' 47' ' ' VAL . 5.0 t80 -178.88 144.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.613 ' N ' HG11 ' A' ' 47' ' ' VAL . 2.2 mt-10 -75.63 148.67 38.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.91 111.97 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.21 104.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' HG21 ' A' ' 55' ' ' VAL . 12.0 pt-20 -144.16 172.82 12.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.91 68.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -154.43 -58.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.53 97.8 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 81' ' ' VAL . 12.8 p -146.73 114.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.24 137.35 8.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.4 p -172.78 120.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.26 117.49 4.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 98.32 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.71 126.13 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.5 t -80.94 143.73 32.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.17 123.76 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 p -136.69 169.35 17.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.28 -116.98 0.5 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.054 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.94 119.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.794 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 p 176.98 150.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.38 77.73 0.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -178.42 139.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 p -66.63 158.67 29.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -156.19 157.96 31.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 109.97 3.03 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.924 HG21 ' HA ' ' A' ' 64' ' ' GLU . 11.3 pt -108.13 169.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.32 133.89 55.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 68' ' ' LEU . 44.7 t -126.31 117.39 48.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -86.59 138.39 31.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.967 HD12 ' HB3' ' A' ' 20' ' ' LYS . 68.7 mt -74.48 161.41 78.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.05 1.51 7.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -108.9 -3.78 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.64 -32.08 6.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.967 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.21 167.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.334 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -134.12 151.79 51.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.5 t -144.56 161.63 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.83 131.62 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -136.28 179.06 6.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 38.2 mt-10 -137.22 135.98 37.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 p -65.52 125.87 26.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.567 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 8.3 m95 64.24 34.59 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.28 -63.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.822 ' O ' HD22 ' A' ' 62' ' ' LEU . 93.5 m -98.88 150.05 22.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 110.391 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -118.93 174.96 2.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.02 -26.8 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.7 t80 -69.3 -37.36 77.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 mt-30 -71.68 -54.02 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -40.27 -65.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.18 -49.44 9.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.13 -61.14 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.51 -55.14 2.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.747 HD11 HD21 ' A' ' 16' ' ' LEU . 1.3 mp -45.99 -65.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -147.21 136.04 22.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.16 109.06 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.76 -34.0 2.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tt -54.28 -41.81 69.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.03 -64.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -42.01 -41.44 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -90.44 64.31 5.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.4 m -137.55 137.81 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.866 HG21 ' N ' ' A' ' 73' ' ' PHE . 3.4 t -93.48 -64.92 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 48' ' ' ILE . 13.6 mm -149.45 137.49 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -103.62 136.63 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -99.28 136.55 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.895 HG13 ' SG ' ' A' ' 66' ' ' CYS . 45.7 t -123.47 98.8 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 2.3 t-20 81.83 24.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 2.9 t-20 81.72 19.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.1 134.09 61.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 t -46.32 137.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 4.8 t-105 -142.8 128.57 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.2 147.17 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 7.2 mt -71.09 -36.47 72.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -86.91 47.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 30' ' ' THR . 8.2 ttt180 -155.27 129.68 4.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.58 35.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.822 HD22 ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -60.76 178.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 6.6 mt-10 -111.2 -34.92 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.924 ' HA ' HG21 ' A' ' 12' ' ' ILE . 1.4 pt-20 -177.9 -179.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.81 112.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.895 ' SG ' HG13 ' A' ' 51' ' ' VAL . 23.5 p -152.14 179.18 8.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.0 p -103.29 144.82 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 31' ' ' PRO . 62.0 tp -110.6 136.16 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -150.16 116.57 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.09 129.14 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.54 153.84 20.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -110.95 125.52 53.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.866 ' N ' HG21 ' A' ' 47' ' ' VAL . 6.7 m-85 28.13 55.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' H ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -35.51 149.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.66 100.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.74 -62.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.596 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 2.6 tt0 -128.32 -44.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 78.13 -58.15 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 62.96 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -124.77 113.32 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.3 p -159.73 162.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -52.15 140.76 20.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.82 79.87 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.71 -73.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.48 5.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.81 142.28 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.8 t -162.67 143.9 10.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.54 113.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m 62.62 168.96 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.85 -109.03 2.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 110.953 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.09 -58.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.84 143.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.06 173.8 20.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 63.79 105.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p -71.44 -177.83 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -166.02 158.53 12.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.412 ' CA ' ' OE2' ' A' ' 25' ' ' GLU . 18.5 Cg_endo -74.97 110.61 3.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.643 HG21 ' HA ' ' A' ' 64' ' ' GLU . 42.8 pt -106.89 171.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.89 135.08 49.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.7 t -128.88 119.38 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.7 m -88.44 124.93 34.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 20' ' ' LYS . 10.0 mt -63.8 161.2 39.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.0 2.88 6.14 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -101.32 -15.64 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.84 -31.44 5.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.642 ' HG2' HD12 ' A' ' 16' ' ' LEU . 23.0 tttt -60.75 154.93 20.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -108.99 152.5 24.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 23' ' ' ASP . 86.2 t -131.84 165.94 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' N ' HG12 ' A' ' 22' ' ' VAL . 22.6 m-20 -114.65 126.61 55.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.546 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -140.88 178.27 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 1.6 mm-40 -134.94 141.89 46.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.5 p -62.02 130.36 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 58.0 41.33 24.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -142.36 -71.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.553 ' O ' HD22 ' A' ' 62' ' ' LEU . 52.5 m -97.42 152.5 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.465 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -121.48 -179.8 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.428 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -74.98 -28.78 8.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.76 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 3.3 t80 -66.88 -51.22 58.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.41 -30.83 70.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.602 HG21 ' CD2' ' A' ' 68' ' ' LEU . 6.6 mt -56.72 -43.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.2 -44.98 43.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -43.71 -46.02 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.315 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.69 -45.78 12.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 39' ' ' SER . 56.4 mt -68.81 166.73 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.519 ' N ' HG22 ' A' ' 38' ' ' ILE . 70.6 m -41.47 137.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.59 125.04 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.21 -17.14 6.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -72.21 -38.46 69.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.96 -45.28 15.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -48.1 -31.62 5.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -96.35 46.06 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.717 HG23 ' HB3' ' A' ' 70' ' ' LEU . 7.4 m -127.12 135.22 50.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -110.75 -48.94 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 48' ' ' ILE . 14.4 mm -151.17 131.93 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' TRP . . . -96.23 131.49 42.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' NZ ' HD21 ' A' ' 71' ' ' LEU . 13.9 mttp -99.13 128.4 45.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.919 HG13 ' SG ' ' A' ' 66' ' ' CYS . 48.0 t -115.16 99.98 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 78.11 34.02 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.46 21.79 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.358 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -131.24 133.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.2 t -47.44 136.94 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.468 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.5 t-105 -143.09 133.35 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 107.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -70.26 145.07 51.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 9.0 mt -70.29 -31.09 68.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -90.36 39.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -148.65 128.09 6.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 146.9 33.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.598 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.52 -178.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -115.32 -33.35 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.643 ' HA ' HG21 ' A' ' 12' ' ' ILE . 11.0 pt-20 -175.31 177.75 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -41.16 113.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.919 ' SG ' HG13 ' A' ' 51' ' ' VAL . 25.4 p -151.83 179.68 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 p -100.34 155.03 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.602 ' CD2' HG21 ' A' ' 34' ' ' ILE . 45.5 tp -124.87 133.77 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -144.02 110.99 5.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.717 ' HB3' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -76.41 124.49 27.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.671 HD23 ' HG3' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -88.36 154.28 20.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -91.78 -33.81 14.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.689 ' HA ' HG21 ' A' ' 47' ' ' VAL . 85.6 t80 -170.27 126.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.671 ' HG3' HD23 ' A' ' 71' ' ' LEU . 0.6 OUTLIER -142.71 158.41 43.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.31 82.09 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -147.83 135.73 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.46 163.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.63 -47.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -90.97 31.94 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -172.01 44.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 m -110.99 -33.48 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 39.14 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -54.81 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -152.66 168.49 31.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.67 10.13 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.8 t -78.19 -47.31 18.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.0 m 53.94 99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -85.43 150.17 24.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 m -117.73 165.35 13.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.15 172.56 21.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.61 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -81.29 140.02 35.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.53 -74.22 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.96 105.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 10' ' ' LYS . 2.6 t 52.88 176.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -169.07 157.64 7.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.713 HG21 ' HA ' ' A' ' 64' ' ' GLU . 15.6 pt -111.24 167.24 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -115.81 137.43 52.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 60.4 t -131.6 119.81 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -91.33 144.97 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.446 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.917 HD12 ' HB3' ' A' ' 20' ' ' LYS . 39.4 mt -80.59 162.38 60.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 1.43 7.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.41 -13.26 15.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 -32.02 5.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.917 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.26 159.12 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -123.15 151.59 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 t -141.62 160.57 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.26 132.38 46.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -138.55 177.84 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 28' ' ' LYS . 2.1 mp0 -137.14 135.52 37.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 p -59.57 135.29 57.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CZ2' ' OE2' ' A' ' 63' ' ' GLU . 8.5 m95 51.88 37.65 21.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -139.15 -64.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.644 ' O ' HD22 ' A' ' 62' ' ' LEU . 92.6 m -99.4 155.54 17.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 2.0 p -125.2 173.32 5.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.755 ' HB3' HD13 ' A' ' 68' ' ' LEU . 18.2 Cg_endo -75.01 -19.95 17.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.811 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 6.0 t80 -74.16 -36.11 64.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ILE . 8.1 mt-30 -74.27 -54.15 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -40.62 -63.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 38' ' ' ILE . . . -44.36 -47.51 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -54.84 35.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.71 -53.81 1.87 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.744 HD11 HD21 ' A' ' 16' ' ' LEU . 2.4 mp -44.51 -75.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.426 0.721 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.2 132.87 15.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -56.28 112.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.86 -39.3 1.58 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -52.63 54.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.2 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -71.05 -36.99 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.64 68.54 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m -128.97 148.73 50.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.803 HG21 ' H ' ' A' ' 73' ' ' PHE . 5.0 t -116.3 -70.22 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.6 mm -144.33 124.61 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.02 133.31 35.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -98.79 132.95 43.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.89 HG13 ' SG ' ' A' ' 66' ' ' CYS . 53.5 t -120.02 100.31 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 0.8 OUTLIER 80.01 29.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 1.6 t30 75.7 22.75 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.6 OUTLIER -131.27 135.89 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.403 HG11 ' HB1' ' A' ' 80' ' ' ALA . 41.2 t -48.14 131.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.574 ' CE3' ' HB ' ' A' ' 51' ' ' VAL . 5.9 t-105 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 60' ' ' ARG . 70.2 m-20 -85.72 151.2 24.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 2.1 mt -76.39 -27.58 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.83 -22.25 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' CB ' ' HB2' ' A' ' 57' ' ' ASP . 2.1 ttt180 -86.33 124.43 69.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 147.31 33.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -52.75 175.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' OE2' ' CZ2' ' A' ' 27' ' ' TRP . 3.2 mt-10 -113.83 -39.3 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.713 ' HA ' HG21 ' A' ' 12' ' ' ILE . 12.3 pt-20 -173.11 -178.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' GLU . 2.8 p-10 -40.23 110.01 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.89 ' SG ' HG13 ' A' ' 51' ' ' VAL . 24.7 p -152.11 177.49 10.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 p -102.3 145.09 29.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' A' ' 31' ' ' PRO . 30.3 tp -113.34 139.14 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -150.3 125.05 9.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.41 HD22 ' HG3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -92.5 118.04 30.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 153.88 34.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -109.13 116.06 31.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.803 ' H ' HG21 ' A' ' 47' ' ' VAL . 1.7 t80 56.94 123.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' N ' HG11 ' A' ' 47' ' ' VAL . 46.5 mt-10 -41.45 158.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -151.98 95.67 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 50.72 81.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -158.97 157.5 31.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.18 -60.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -58.05 -58.59 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' HB1' HG11 ' A' ' 55' ' ' VAL . . . -84.52 73.87 10.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 82' ' ' TYR . 7.8 p -116.74 -48.95 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.44 ' N ' HG13 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -151.12 -49.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 m 62.02 162.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.6 -171.28 23.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.76 42.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.1 t -57.12 109.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -142.77 139.93 31.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p 42.11 85.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -151.39 -58.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.4 -146.17 17.16 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.61 130.22 12.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -163.05 140.3 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.01 134.07 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.66 166.19 11.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 p -53.14 167.15 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -164.08 163.81 15.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 112.55 3.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.7 HG21 ' HA ' ' A' ' 64' ' ' GLU . 26.2 pt -106.59 162.45 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -113.17 126.99 56.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.76 114.6 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 m -89.52 128.84 36.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 ' CB ' ' A' ' 20' ' ' LYS . 46.9 mt -64.18 160.19 50.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HG3' HD22 ' A' ' 70' ' ' LEU . 18.1 Cg_endo -75.05 1.58 7.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.541 1.811 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.53 -5.63 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.98 -32.04 6.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.698 ' CB ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.6 166.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -125.85 152.08 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 23' ' ' ASP . 58.5 t -141.24 163.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' N ' HG12 ' A' ' 22' ' ' VAL . 11.2 p-10 -104.61 131.44 52.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.85 175.74 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' CA ' HG12 ' A' ' 12' ' ' ILE . 34.0 mt-10 -137.27 133.03 34.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 p -58.33 128.98 39.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.561 ' CZ2' ' HG2' ' A' ' 63' ' ' GLU . 6.4 m95 58.48 41.17 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -143.06 -65.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.793 ' O ' HD22 ' A' ' 62' ' ' LEU . 91.7 m -98.8 154.55 17.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.13 173.89 4.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HB2' ' CB ' ' A' ' 49' ' ' ALA . 18.4 Cg_endo -74.94 -21.56 15.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 58' ' ' LEU . 10.0 t80 -73.83 -33.82 64.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ILE . 26.9 mt-30 -77.21 -53.15 8.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -40.02 -46.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -65.8 -53.69 36.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.1 -45.66 52.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.7 -60.46 1.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.1 mt -40.47 -62.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.2 147.74 25.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.83 122.79 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.64 -35.44 4.31 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.046 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.8 tt -50.63 -34.39 25.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.64 78.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -53.48 -37.54 62.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -165.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.551 HG23 ' HB3' ' A' ' 70' ' ' LEU . 73.8 m 64.16 171.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.64 HG21 ' HA ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -128.32 -50.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.508 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 20.8 mm -149.15 129.07 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 31' ' ' PRO . . . -92.08 131.41 37.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 53' ' ' ASN . 16.3 mttm -98.95 142.27 30.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.834 HG13 ' SG ' ' A' ' 66' ' ' CYS . 54.8 t -128.35 99.25 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 2.7 t-20 80.72 29.67 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.6 OUTLIER 76.63 20.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -130.53 132.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.498 HG13 ' CG2' ' A' ' 48' ' ' ILE . 49.6 t -46.8 134.5 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.49 ' CB ' HG23 ' A' ' 51' ' ' VAL . 5.7 t-105 -139.92 124.99 18.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.49 142.77 58.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.411 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -64.29 -40.18 95.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -83.98 51.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.54 127.78 3.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.12 33.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.793 HD22 ' O ' ' A' ' 29' ' ' THR . 0.4 OUTLIER -58.62 -177.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 27' ' ' TRP . 57.4 mt-10 -117.77 -35.73 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.7 ' HA ' HG21 ' A' ' 12' ' ' ILE . 5.7 pt-20 -175.94 -179.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -40.8 110.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.834 ' SG ' HG13 ' A' ' 51' ' ' VAL . 9.1 p -152.18 174.28 13.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 p -94.99 161.29 14.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 31' ' ' PRO . 36.3 tp -127.18 128.39 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -139.63 121.57 15.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.698 HD22 ' N ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -89.09 129.16 35.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' CB ' HG12 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -95.58 154.34 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.82 -28.42 14.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' HA ' HG21 ' A' ' 47' ' ' VAL . 61.4 t80 -174.01 134.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.52 177.73 4.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.29 88.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.2 -59.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -129.3 171.64 12.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.338 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -124.68 80.91 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -162.85 -59.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.39 90.11 3.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.46 145.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 47.82 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.61 115.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.43 179.53 53.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 116.44 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.6 p -53.25 118.23 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.35 144.29 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.962 . . . . . . . . 0 0 . 1 stop_ save_